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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N(CC1=CC=CC=C1)C2=NC=NN2)SCC3=CC=CC(=C3)C

Isomeric SMILES

CCCC(C(=O)N(CC1=CC=CC=C1)C2=NC=NN2)SCC3=CC=CC(=C3)C

InChI

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