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

Systemtic Name: N-[(3-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: N-(m-tolylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: N-[(3-methylphenyl)methylthio]-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: N-[(3-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: N-[(3-methylbenzyl)thio]-N-(1H-1,2,4-triazol-5-yl)propionamide Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4OS/c1-3-12(18)17(13-14-9-15-16-13)19-8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15,16)