methyl 3-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C19H18N4O3S/c1-13(24)21-16-7-4-8-17(10-16)23-12-20-22-19(23)27-11-14-5-3-6-15(9-14)18(25)26-2/h3-10,12H,11H2,1-2H3,(H,21,24)