[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C16H11N5O3S MolecularWeight: 353.35524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C#N)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C#N)N3C=NC=N3

InChI

InChI=1S/C16H11N5O3S/c17-7-12-5-6-25-15(12)20-14(22)8-24-16(23)11-1-3-13(4-2-11)21-10-18-9-19-21/h1-6,9-10H,8H2,(H,20,22)