1-[[(1-azanyl-2-sulfosulfanyl-ethylidene)amino]methyl]-3-(4,5-dimethyl-2-oxidanyl-phenyl)adamantane

Systemtic Name: 1-[[(1-azanyl-2-sulfosulfanyl-ethylidene)amino]methyl]-3-(4,5-dimethyl-2-oxidanyl-phenyl)adamantane Openeye Name: 1-[[(1-amino-2-sulfosulfanyl-ethylidene)amino]methyl]-3-(2-hydroxy-4,5-dimethyl-phenyl)adamantane CAS Name: 1-[[[1-amino-2-(sulfothio)ethylidene]amino]methyl]-3-(2-hydroxy-4,5-dimethylphenyl)adamantane IUPAC Name: 1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-3-(2-hydroxy-4,5-dimethylphenyl)adamantane Traditional Name: 1-[[[1-amino-2-(sulfothio)ethylidene]amino]methyl]-3-(2-hydroxy-4,5-dimethyl-phenyl)adamantane Formula: C21H30N2O4S2 MolecularWeight: 438.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C23CC4CC(C2)CC(C4)(C3)CN=C(CSS(=O)(=O)O)N)O)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C23CC4CC(C2)CC(C4)(C3)CN=C(CSS(=O)(=O)O)N)O)C

InChI

InChI=1S/C21H30N2O4S2/c1-13-3-17(18(24)4-14(13)2)21-8-15-5-16(9-21)7-20(6-15,11-21)12-23-19(22)10-28-29(25,26)27/h3-4,15-16,24H,5-12H2,1-2H3,(H2,22,23)(H,25,26,27)