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

Systemtic Name: 1-[[(1-azanyl-2-sulfosulfanyl-ethylidene)amino]methyl]-3-(4-methyl-3-oxidanyl-phenyl)adamantane Openeye Name: 1-[[(1-amino-2-sulfosulfanyl-ethylidene)amino]methyl]-3-(3-hydroxy-4-methyl-phenyl)adamantane CAS Name: 1-[[[1-amino-2-(sulfothio)ethylidene]amino]methyl]-3-(3-hydroxy-4-methylphenyl)adamantane IUPAC Name: 1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-3-(3-hydroxy-4-methylphenyl)adamantane Traditional Name: 1-[[[1-amino-2-(sulfothio)ethylidene]amino]methyl]-3-(3-hydroxy-4-methyl-phenyl)adamantane Formula: C20H28N2O4S2 MolecularWeight: 424.57732

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4S2/c1-13-2-3-16(5-17(13)23)20-8-14-4-15(9-20)7-19(6-14,11-20)12-22-18(21)10-27-28(24,25)26/h2-3,5,14-15,23H,4,6-12H2,1H3,(H2,21,22)(H,24,25,26)