S-[4-chloranyl-3-(4-cyanophenyl)carbonylsulfanyl-phenyl] 4-cyanobenzenecarbothioate

Systemtic Name: S-[4-chloranyl-3-(4-cyanophenyl)carbonylsulfanyl-phenyl] 4-cyanobenzenecarbothioate Openeye Name: S-[4-chloro-3-(4-cyanobenzoyl)sulfanyl-phenyl] 4-cyanobenzenecarbothioate CAS Name: 4-cyanobenzenecarbothioic acid S-[4-chloro-3-[[(4-cyanophenyl)-oxomethyl]thio]phenyl] ester IUPAC Name: S-[4-chloro-3-(4-cyanobenzoyl)sulfanylphenyl] 4-cyanobenzenecarbothioate Traditional Name: 4-cyanothiobenzoic acid S-[4-chloro-3-[(4-cyanobenzoyl)thio]phenyl] ester Formula: C22H11ClN2O2S2 MolecularWeight: 434.91794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)SC2=CC(=C(C=C2)Cl)SC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)SC2=CC(=C(C=C2)Cl)SC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H11ClN2O2S2/c23-19-10-9-18(28-21(26)16-5-1-14(12-24)2-6-16)11-20(19)29-22(27)17-7-3-15(13-25)4-8-17/h1-11H