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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H19BrN4OS MolecularWeight: 431.34936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C19H19BrN4OS/c1-12-3-5-14(6-4-12)18-22-23-19(26)24(18)10-9-17(25)21-15-7-8-16(20)13(2)11-15/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,23,26)