methyl 2-[[1-[(2-methylphenyl)methyl]-1,2,3-triazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[1-[(2-methylphenyl)methyl]-1,2,3-triazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[1-(o-tolylmethyl)triazole-4-carbonyl]amino]butanoate CAS Name: 2-[[[1-[(2-methylphenyl)methyl]-4-triazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-methylphenyl)methyl]triazole-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[1-(2-methylbenzyl)triazole-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C17H22N4O3S/c1-12-6-4-5-7-13(12)10-21-11-15(19-20-21)16(22)18-14(8-9-25-3)17(23)24-2/h4-7,11,14H,8-10H2,1-3H3,(H,18,22)