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

Systemtic Name: N-[(2-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-(o-tolylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-[(2-methylphenyl)methylthio]-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: N-[(2-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: N-[(2-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=C2C

Isomeric SMILES

CCCCC(=O)N(C1=NC=NN1)SCC2=CC=CC=C2C

InChI

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