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

Systemtic Name: N-(2-cyanophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-cyanophenyl)-2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-cyanophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-cyanophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-cyanophenyl)-2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H21N5OS MolecularWeight: 391.48934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC=C2C#N)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC=C2C#N)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H21N5OS/c1-4-26-19(16-10-7-8-14(2)12-16)24-25-21(26)28-15(3)20(27)23-18-11-6-5-9-17(18)13-22/h5-12,15H,4H2,1-3H3,(H,23,27)