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

Systemtic Name: N-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide Openeye Name: N-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: N-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzamide IUPAC Name: N-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide Traditional Name: N-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]benzamide Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O2S/c1-2-13-8-10-14(11-9-13)17-21-19(23-22-17)26-12-16(24)20-18(25)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,20,24,25)(H,21,22,23)