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

Systemtic Name: methyl 3-oxidanylidene-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl 3-oxo-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 3-oxo-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 3-oxo-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 3-keto-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butyric acid methyl ester Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

COC(=O)CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C17H15N3O3S2/c1-23-15(22)10-13(21)11-25-17-19-18-16(14-8-5-9-24-14)20(17)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3