N-(3,5-dimethylphenyl)-2-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: N-(3,5-dimethylphenyl)-2-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide Formula: C27H26N4OS MolecularWeight: 454.58654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26N4OS/c1-4-15-31-25(22-13-9-6-10-14-22)29-30-27(31)33-24(21-11-7-5-8-12-21)26(32)28-23-17-19(2)16-20(3)18-23/h4-14,16-18,24H,1,15H2,2-3H3,(H,28,32)