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

Systemtic Name: N-[(3-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)butanamide Openeye Name: N-(m-tolylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)butanamide CAS Name: N-[(3-methylphenyl)methylthio]-N-(1H-1,2,4-triazol-5-yl)butanamide IUPAC Name: N-[(3-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)butanamide Traditional Name: N-[(3-methylbenzyl)thio]-N-(1H-1,2,4-triazol-5-yl)butyramide Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4OS/c1-3-5-13(19)18(14-15-10-16-17-14)20-9-12-7-4-6-11(2)8-12/h4,6-8,10H,3,5,9H2,1-2H3,(H,15,16,17)