2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)butanamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)butanamide Openeye Name: 2-(m-tolylmethylsulfanyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)butanamide CAS Name: 2-[(3-methylphenyl)methylthio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)butanamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)butanamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)butyramide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(CCC1=CC=CC=C1)C2=NC=NN2)SCC3=CC=CC(=C3)C

Isomeric SMILES

CCC(C(=O)N(CCC1=CC=CC=C1)C2=NC=NN2)SCC3=CC=CC(=C3)C

InChI

InChI=1S/C22H26N4OS/c1-3-20(28-15-19-11-7-8-17(2)14-19)21(27)26(22-23-16-24-25-22)13-12-18-9-5-4-6-10-18/h4-11,14,16,20H,3,12-13,15H2,1-2H3,(H,23,24,25)