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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-propyl-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: 2-(m-tolylmethylsulfanyl)-N-propyl-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: 2-[(3-methylphenyl)methylthio]-N-propyl-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-N-propyl-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-propyl-N-(1H-1,2,4-triazol-5-yl)propionamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=NC=NN1)C(=O)C(C)SCC2=CC=CC(=C2)C

Isomeric SMILES

CCCN(C1=NC=NN1)C(=O)C(C)SCC2=CC=CC(=C2)C

InChI

InChI=1S/C16H22N4OS/c1-4-8-20(16-17-11-18-19-16)15(21)13(3)22-10-14-7-5-6-12(2)9-14/h5-7,9,11,13H,4,8,10H2,1-3H3,(H,17,18,19)