4-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 4-[[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 4-[[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN4OS/c1-2-26-19(17-5-3-4-6-18(17)22)24-25-21(26)28-13-14-7-9-15(10-8-14)20(27)23-16-11-12-16/h3-10,16H,2,11-13H2,1H3,(H,23,27)