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

Systemtic Name: methyl 4-methylsulfanyl-2-[[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[1-(3-phenylpropyl)triazole-4-carbonyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[1-(3-phenylpropyl)-4-triazolyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[1-(3-phenylpropyl)triazole-4-carbonyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[1-(3-phenylpropyl)triazole-4-carbonyl]amino]butyric acid methyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CN(N=N1)CCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CN(N=N1)CCCC2=CC=CC=C2

InChI

InChI=1S/C18H24N4O3S/c1-25-18(24)15(10-12-26-2)19-17(23)16-13-22(21-20-16)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,19,23)