[4-[(E)-[(2,4-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(E)-[(2,4-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-[(2,4-dimethylphenyl)carbamothioylhydrazono]methyl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(E)-[[(2,4-dimethylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(2,4-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-[(2,4-dimethylphenyl)thiocarbamoylhydrazono]methyl]-2-methoxy-phenyl] ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NN=CC2=CC(=C(C=C2)OC(=O)C3=CN=CC=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CN=CC=C3)OC)C

InChI

InChI=1S/C23H22N4O3S/c1-15-6-8-19(16(2)11-15)26-23(31)27-25-13-17-7-9-20(21(12-17)29-3)30-22(28)18-5-4-10-24-14-18/h4-14H,1-3H3,(H2,26,27,31)/b25-13+