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

Systemtic Name: methyl 4-[methyl-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)carbonyl]amino]butanoate Openeye Name: methyl 4-[methyl-[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]butanoate CAS Name: 4-[methyl-[oxo-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[methyl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)amino]butanoate Traditional Name: 4-[methyl-[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]butyric acid methyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC)C(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CN(CCCC(=O)OC)C(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S/c1-22(12-6-11-16(24)26-2)19(25)17-20-18(15-10-7-13-27-15)23(21-17)14-8-4-3-5-9-14/h3-5,7-10,13H,6,11-12H2,1-2H3