N-(6-methylheptan-2-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-(6-methylheptan-2-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-(1,5-dimethylhexyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(6-methylheptan-2-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-(6-methylheptan-2-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(1,5-dimethylhexyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H26N4OS2 MolecularWeight: 366.54454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC=CS2

Isomeric SMILES

CC(C)CCCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC=CS2

InChI

InChI=1S/C17H26N4OS2/c1-12(2)6-4-7-13(3)18-15(22)9-10-21-16(19-20-17(21)23)14-8-5-11-24-14/h5,8,11-13H,4,6-7,9-10H2,1-3H3,(H,18,22)(H,20,23)