N-(7-methyloctyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-(7-methyloctyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-(7-methyloctyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(7-methyloctyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-(7-methyloctyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(7-methyloctyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C18H28N4OS2 MolecularWeight: 380.57112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCNC(=O)CCN1C(=NNC1=S)C2=CC=CS2

Isomeric SMILES

CC(C)CCCCCCNC(=O)CCN1C(=NNC1=S)C2=CC=CS2

InChI

InChI=1S/C18H28N4OS2/c1-14(2)8-5-3-4-6-11-19-16(23)10-12-22-17(20-21-18(22)24)15-9-7-13-25-15/h7,9,13-14H,3-6,8,10-12H2,1-2H3,(H,19,23)(H,21,24)