6-(4-chlorophenyl)-5-cyano-2-(phenylmethylsulfanyl)pyrimidine-4-thiolate

Systemtic Name: 6-(4-chlorophenyl)-5-cyano-2-(phenylmethylsulfanyl)pyrimidine-4-thiolate Openeye Name: 2-benzylsulfanyl-6-(4-chlorophenyl)-5-cyano-pyrimidine-4-thiolate CAS Name: 6-(4-chlorophenyl)-5-cyano-2-(phenylmethylthio)-4-pyrimidinethiolate IUPAC Name: 2-benzylsulfanyl-6-(4-chlorophenyl)-5-cyanopyrimidine-4-thiolate Traditional Name: 2-(benzylthio)-6-(4-chlorophenyl)-5-cyano-pyrimidine-4-thiolate Formula: C18H11ClN3S2- MolecularWeight: 368.88304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)[S-])C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)[S-])C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H12ClN3S2/c19-14-8-6-13(7-9-14)16-15(10-20)17(23)22-18(21-16)24-11-12-4-2-1-3-5-12/h1-9H,11H2,(H,21,22,23)/p-1