N-[(4-methylphenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-propylacetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide Traditional Name: N-(4-methylbenzyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-propyl-acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-3-13-25(14-17-11-9-16(2)10-12-17)19(26)15-27-21-22-20(23-24-21)18-7-5-4-6-8-18/h4-12H,3,13-15H2,1-2H3,(H,22,23,24)