N-(2,6-dimethylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2,6-dimethylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H26N4OS/c1-15-9-8-10-16(2)20(15)23-21(27)17(3)28-22-25-24-18(4)26(22)14-13-19-11-6-5-7-12-19/h5-12,17H,13-14H2,1-4H3,(H,23,27)