ethyl 1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]triazole-4-carboxylate CAS Name: 1-[2-[3-(methylthio)anilino]-2-oxoethyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-methylsulfanylanilino)-2-oxoethyl]triazole-4-carboxylate Traditional Name: 1-[2-keto-2-[3-(methylthio)anilino]ethyl]triazole-4-carboxylic acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=N1)CC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=CN(N=N1)CC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C14H16N4O3S/c1-3-21-14(20)12-8-18(17-16-12)9-13(19)15-10-5-4-6-11(7-10)22-2/h4-8H,3,9H2,1-2H3,(H,15,19)