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

Systemtic Name: 2-methyl-N-[4-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoylamino]phenyl]propanamide Openeye Name: 2-methyl-N-[4-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]phenyl]propanamide CAS Name: 2-methyl-N-[4-[[1-oxo-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]amino]phenyl]propanamide IUPAC Name: 2-methyl-N-[4-[[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetyl]amino]phenyl]propanamide Traditional Name: 2-methyl-N-[4-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]phenyl]propionamide Formula: C18H19N5O2S2 MolecularWeight: 401.50576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C18H19N5O2S2/c1-11(2)17(25)20-13-7-5-12(6-8-13)19-15(24)10-23-16(21-22-18(23)26)14-4-3-9-27-14/h3-9,11H,10H2,1-2H3,(H,19,24)(H,20,25)(H,22,26)