[2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chloranylbenzoate Openeye Name: [2-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NN=CC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H16ClN3O2S/c22-17-12-10-15(11-13-17)20(26)27-19-9-5-4-6-16(19)14-23-25-21(28)24-18-7-2-1-3-8-18/h1-14H,(H2,24,25,28)/b23-14+