1-[[(1-azanyl-2-sulfosulfanyl-ethylidene)amino]methyl]-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene

Systemtic Name: 1-[[(1-azanyl-2-sulfosulfanyl-ethylidene)amino]methyl]-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene Openeye Name: 1-[[(1-amino-2-sulfosulfanyl-ethylidene)amino]methyl]-7-isopropyl-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene CAS Name: 1-[[[1-amino-2-(sulfothio)ethylidene]amino]methyl]-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene IUPAC Name: 1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene Traditional Name: 1-[[[1-amino-2-(sulfothio)ethylidene]amino]methyl]-7-isopropyl-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene Formula: C21H32N2O3S2 MolecularWeight: 424.62038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)CN=C(CSS(=O)(=O)O)N)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)CN=C(CSS(=O)(=O)O)N)C

InChI

InChI=1S/C21H32N2O3S2/c1-14(2)15-6-8-18-16(11-15)7-9-19-17(5-4-10-21(18,19)3)12-23-20(22)13-27-28(24,25)26/h6,8,11,14,17,19H,4-5,7,9-10,12-13H2,1-3H3,(H2,22,23)(H,24,25,26)