methyl 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

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