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

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C17H12ClN3O2S2 MolecularWeight: 389.87908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OC3=CC=C(C=C3)C=NNC(=S)N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OC3=CC=C(C=C3)/C=N/NC(=S)N)Cl

InChI

InChI=1S/C17H12ClN3O2S2/c18-14-12-3-1-2-4-13(12)25-15(14)16(22)23-11-7-5-10(6-8-11)9-20-21-17(19)24/h1-9H,(H3,19,21,24)/b20-9+