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

Systemtic Name: N-[(3-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-(m-tolylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-[(3-methylphenyl)methylthio]-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: N-[(3-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: N-[(3-methylbenzyl)thio]-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(C1=NC=NN1)SCC2=CC=CC(=C2)C

Isomeric SMILES

CCCCC(=O)N(C1=NC=NN1)SCC2=CC=CC(=C2)C

InChI

InChI=1S/C15H20N4OS/c1-3-4-8-14(20)19(15-16-11-17-18-15)21-10-13-7-5-6-12(2)9-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,17,18)