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

Systemtic Name: 1-[[(1-azanyl-2-sulfosulfanyl-ethylidene)amino]methyl]-3-(4-methylsulfanylphenyl)adamantane Openeye Name: 1-[[(1-amino-2-sulfosulfanyl-ethylidene)amino]methyl]-3-(4-methylsulfanylphenyl)adamantane CAS Name: 1-[[[1-amino-2-(sulfothio)ethylidene]amino]methyl]-3-[4-(methylthio)phenyl]adamantane IUPAC Name: 1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-3-(4-methylsulfanylphenyl)adamantane Traditional Name: 1-[[[1-amino-2-(sulfothio)ethylidene]amino]methyl]-3-[4-(methylthio)phenyl]adamantane Formula: C20H28N2O3S3 MolecularWeight: 440.64292

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CN=C(CSS(=O)(=O)O)N

Isomeric SMILES

CSC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CN=C(CSS(=O)(=O)O)N

InChI

InChI=1S/C20H28N2O3S3/c1-26-17-4-2-16(3-5-17)20-9-14-6-15(10-20)8-19(7-14,12-20)13-22-18(21)11-27-28(23,24)25/h2-5,14-15H,6-13H2,1H3,(H2,21,22)(H,23,24,25)