methyl 4-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)carbonylamino]butanoate

Systemtic Name: methyl 4-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)carbonylamino]butanoate Openeye Name: methyl 4-[[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]butanoate CAS Name: 4-[[oxo-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)amino]butanoate Traditional Name: 4-[[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]butyric acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCNC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-25-15(23)10-5-11-19-18(24)16-20-17(14-9-6-12-26-14)22(21-16)13-7-3-2-4-8-13/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,24)