[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC(=O)C2=CC=C(S2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC(=O)C2=CC=C(S2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H12ClN3O3S/c1-10-15(19-20(18-10)11-5-3-2-4-6-11)16(22)23-9-12(21)13-7-8-14(17)24-13/h2-8H,9H2,1H3