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

Systemtic Name: N-[2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide Openeye Name: N-[2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: N-[2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzamide IUPAC Name: N-[2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide Traditional Name: N-[2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetyl]benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H22N4O2S/c1-3-12-25-19(17-11-7-8-15(2)13-17)23-24-21(25)28-14-18(26)22-20(27)16-9-5-4-6-10-16/h4-11,13H,3,12,14H2,1-2H3,(H,22,26,27)