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

Systemtic Name: N-(2-methylphenyl)-2-[[4-(2-methylpropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(4-isobutyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(o-tolyl)propanamide CAS Name: N-(2-methylphenyl)-2-[[4-(2-methylpropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methylphenyl)-2-[[4-(2-methylpropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[(4-isobutyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(o-tolyl)propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-15(2)14-26-20(18-11-6-5-7-12-18)24-25-22(26)28-17(4)21(27)23-19-13-9-8-10-16(19)3/h5-13,15,17H,14H2,1-4H3,(H,23,27)