[2-methoxy-4-[(E)-[(2-nitrophenyl)carbamothioylhydrazinylidene]methyl]phenyl] furan-2-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-[(2-nitrophenyl)carbamothioylhydrazinylidene]methyl]phenyl] furan-2-carboxylate Openeye Name: [2-methoxy-4-[(E)-[(2-nitrophenyl)carbamothioylhydrazono]methyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [2-methoxy-4-[(E)-[[(2-nitroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(2-nitrophenyl)carbamothioylhydrazinylidene]methyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-methoxy-4-[(E)-[(2-nitrophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C20H16N4O6S MolecularWeight: 440.42924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=CO3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)NC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=CO3

InChI

InChI=1S/C20H16N4O6S/c1-28-18-11-13(8-9-16(18)30-19(25)17-7-4-10-29-17)12-21-23-20(31)22-14-5-2-3-6-15(14)24(26)27/h2-12H,1H3,(H2,22,23,31)/b21-12+