[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C14H9ClN4O3S MolecularWeight: 348.76426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C14H9ClN4O3S/c15-12-4-3-11(23-12)10(20)6-22-14(21)9-2-1-5-17-13(9)19-8-16-7-18-19/h1-5,7-8H,6H2