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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 2-(m-tolylmethylsulfanyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(3-methylphenyl)methylthio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-3-8-21(29-16-20-12-7-9-18(2)15-20)22(28)27(23-24-17-25-26-23)14-13-19-10-5-4-6-11-19/h4-7,9-12,15,17,21H,3,8,13-14,16H2,1-2H3,(H,24,25,26)