N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C22H18N6OS2 MolecularWeight: 446.54792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=CN3)NC(=O)CN4C(=NNC4=S)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=CN3)NC(=O)CN4C(=NNC4=S)C5=CC=CS5

InChI

InChI=1S/C22H18N6OS2/c29-19(12-28-21(26-27-22(28)30)18-7-4-10-31-18)25-20(14-5-2-1-3-6-14)15-8-9-16-17(11-15)24-13-23-16/h1-11,13,20H,12H2,(H,23,24)(H,25,29)(H,27,30)