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

Systemtic Name: 1-[[(1-azanyl-2-sulfosulfanyl-ethylidene)amino]methyl]-3-(4-methylphenyl)adamantane Openeye Name: 1-[[(1-amino-2-sulfosulfanyl-ethylidene)amino]methyl]-3-(p-tolyl)adamantane CAS Name: 1-[[[1-amino-2-(sulfothio)ethylidene]amino]methyl]-3-(4-methylphenyl)adamantane IUPAC Name: 1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-3-(4-methylphenyl)adamantane Traditional Name: 1-[[[1-amino-2-(sulfothio)ethylidene]amino]methyl]-3-(p-tolyl)adamantane Formula: C20H28N2O3S2 MolecularWeight: 408.57792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S2/c1-14-2-4-17(5-3-14)20-9-15-6-16(10-20)8-19(7-15,12-20)13-22-18(21)11-26-27(23,24)25/h2-5,15-16H,6-13H2,1H3,(H2,21,22)(H,23,24,25)