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

Systemtic Name: N-(3-ethanoylphenyl)-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCCC1=NC(=NN1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H22N4O2S/c1-3-8-18-23-21(25-24-18)28-19(15-9-5-4-6-10-15)20(27)22-17-12-7-11-16(13-17)14(2)26/h4-7,9-13,19H,3,8H2,1-2H3,(H,22,27)(H,23,24,25)