N-(2,4-dimethylphenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2,4-dimethylphenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2,4-dimethylphenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2,4-dimethylphenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2,4-dimethylphenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H24N4OS MolecularWeight: 380.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H24N4OS/c1-4-19-23-24-21(25(19)17-8-6-5-7-9-17)27-13-12-20(26)22-18-11-10-15(2)14-16(18)3/h5-11,14H,4,12-13H2,1-3H3,(H,22,26)