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

Systemtic Name: N-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N4OS/c1-4-13-25-20(17-10-6-5-7-11-17)23-24-21(25)27-14-19(26)22-18-12-8-9-15(2)16(18)3/h4-12H,1,13-14H2,2-3H3,(H,22,26)