N-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide

Systemtic Name: N-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide Openeye Name: N-[2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: N-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzamide IUPAC Name: N-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide Traditional Name: N-[2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]benzamide Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O2S/c1-12-7-9-13(10-8-12)16-20-18(22-21-16)25-11-15(23)19-17(24)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,23,24)(H,20,21,22)