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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=CN2C3=CC=CC=C3C

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=CN2C3=CC=CC=C3C

InChI

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