HMDB0038433 RDKit 3D 1-Isothiocyanatopentane 19 18 0 0 0 0 0 0 0 0999 V2000 -1.8740 1.3985 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 0.1673 0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7844 -0.8110 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 -0.2007 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4992 -1.2333 -0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8551 -0.7474 -1.0713 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1866 0.2620 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9368 1.5373 0.2141 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 2.0182 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9118 1.9698 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1295 1.1699 -1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7529 -0.3370 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 0.4380 1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6893 -1.7203 0.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1366 -1.0503 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0172 0.0682 0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5803 0.6919 -0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1109 -1.4454 -1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 -2.1756 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 2 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 M END