[4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CS3

InChI

InChI=1S/C20H17N3O2S2/c1-14-4-2-5-16(12-14)22-20(26)23-21-13-15-7-9-17(10-8-15)25-19(24)18-6-3-11-27-18/h2-13H,1H3,(H2,22,23,26)/b21-13+