N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[4-(4-tert-butylphenyl)-2-thiazolyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H21N5OS3 MolecularWeight: 455.61934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H21N5OS3/c1-21(2,3)14-8-6-13(7-9-14)15-12-30-19(22-15)23-17(27)11-26-18(24-25-20(26)28)16-5-4-10-29-16/h4-10,12H,11H2,1-3H3,(H,25,28)(H,22,23,27)