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

Systemtic Name: 2-[[5-(3-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(3-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(3-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C18H15N4O3S- MolecularWeight: 367.4017

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O3S/c1-22-16(20-21-18(22)26-11-15(23)24)13-8-5-9-14(10-13)19-17(25)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,19,25)(H,23,24)/p-1