[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C23H16ClN3O2S2 MolecularWeight: 465.97504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NN=CC2=CC=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H16ClN3O2S2/c24-20-18-8-4-5-9-19(18)31-21(20)22(28)29-17-12-10-15(11-13-17)14-25-27-23(30)26-16-6-2-1-3-7-16/h1-14H,(H2,26,27,30)/b25-14+