(4-cyclohexyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-cyclohexyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-cyclohexyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (4-cyclohexyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (4-cyclohexyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (4-cyclohexyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C20H30N5OS2+ MolecularWeight: 420.6151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CCCCC2)C[NH+](C)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC1=NN(C(=S)N1C2CCCCC2)C[NH+](C)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C20H29N5OS2/c1-15-22-24(20(27)25(15)16-9-5-4-6-10-16)14-23(2)13-19(26)21-17-11-7-8-12-18(17)28-3/h7-8,11-12,16H,4-6,9-10,13-14H2,1-3H3,(H,21,26)/p+1