[4-[(E)-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(E)-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-[(4-morpholinosulfonylphenyl)carbamothioylhydrazono]methyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(E)-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-[(4-morpholinosulfonylphenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C24H23N5O5S2 MolecularWeight: 525.59992

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN=CC3=CC=C(C=C3)OC(=O)C4=CN=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H23N5O5S2/c30-23(19-2-1-11-25-17-19)34-21-7-3-18(4-8-21)16-26-28-24(35)27-20-5-9-22(10-6-20)36(31,32)29-12-14-33-15-13-29/h1-11,16-17H,12-15H2,(H2,27,28,35)/b26-16+