3-[4-(4-methylphenyl)-3-[(4-methylphenyl)amino]-5-sulfanylidene-1,2,4-triazol-1-yl]propanoate

Systemtic Name: 3-[4-(4-methylphenyl)-3-[(4-methylphenyl)amino]-5-sulfanylidene-1,2,4-triazol-1-yl]propanoate Openeye Name: 3-[3-(4-methylanilino)-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]propanoate CAS Name: 3-[3-(4-methylanilino)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoate IUPAC Name: 3-[3-(4-methylanilino)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoate Traditional Name: 3-[3-(p-toluidino)-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]propionate Formula: C19H19N4O2S- MolecularWeight: 367.44476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN(C(=S)N2C3=CC=C(C=C3)C)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN(C(=S)N2C3=CC=C(C=C3)C)CCC(=O)[O-]

InChI

InChI=1S/C19H20N4O2S/c1-13-3-7-15(8-4-13)20-18-21-22(12-11-17(24)25)19(26)23(18)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,20,21)(H,24,25)/p-1