N-(3-bromophenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-(3-bromophenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(3-bromophenyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(3-bromophenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-(3-bromophenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(3-bromophenyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C14H11BrN4OS2 MolecularWeight: 395.29734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C14H11BrN4OS2/c15-9-3-1-4-10(7-9)16-12(20)8-19-13(17-18-14(19)21)11-5-2-6-22-11/h1-7H,8H2,(H,16,20)(H,18,21)