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

Systemtic Name: 3-[4-(4-methylphenyl)-5-[(4-methylphenyl)amino]-3-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl]propanoate Openeye Name: 3-[5-(4-methylanilino)-4-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-4-ium-2-yl]propanoate CAS Name: 3-[5-(4-methylanilino)-4-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl]propanoate IUPAC Name: 3-[5-(4-methylanilino)-4-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl]propanoate Traditional Name: 3-[5-(p-toluidino)-4-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-4-ium-2-yl]propionate Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=[N+](C(=S)N(N2)CCC(=O)[O-])C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=[N+](C(=S)N(N2)CCC(=O)[O-])C3=CC=C(C=C3)C

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,(H2,20,21,24,25)