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

Systemtic Name: methyl (2S)-2-[[1-(diphenylmethyl)-1,2,3-triazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(1-benzhydryltriazole-4-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[1-(diphenylmethyl)-4-triazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzhydryltriazole-4-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1-benzhydryltriazole-4-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CN(N=N1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CN(N=N1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3S/c1-29-22(28)18(13-14-30-2)23-21(27)19-15-26(25-24-19)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,20H,13-14H2,1-2H3,(H,23,27)/t18-/m0/s1