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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H20BrN5O2S2 MolecularWeight: 494.4284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C19H20BrN5O2S2/c1-12-10-13(20)5-6-14(12)21-16(26)11-24(2)17(27)7-8-25-18(22-23-19(25)28)15-4-3-9-29-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,26)(H,23,28)