2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamide

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamide Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(4-imidazol-1-ylphenyl)ethyl]acetamide CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[1-[4-(1-imidazolyl)phenyl]ethyl]acetamide IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-imidazol-1-ylphenyl)ethyl]acetamide Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-[1-(4-imidazol-1-ylphenyl)ethyl]acetamide Formula: C21H22N6OS2 MolecularWeight: 438.56898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(C)C2=CC=C(C=C2)N3C=CN=C3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(C)C2=CC=C(C=C2)N3C=CN=C3)C4=CC=CS4

InChI

InChI=1S/C21H22N6OS2/c1-3-27-20(18-5-4-12-29-18)24-25-21(27)30-13-19(28)23-15(2)16-6-8-17(9-7-16)26-11-10-22-14-26/h4-12,14-15H,3,13H2,1-2H3,(H,23,28)