N-butyl-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3C

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3C

InChI

InChI=1S/C21H24N4OS/c1-3-4-14-22-19(26)15-27-21-24-23-20(18-13-9-8-10-16(18)2)25(21)17-11-6-5-7-12-17/h5-13H,3-4,14-15H2,1-2H3,(H,22,26)