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

Systemtic Name: 5-cyano-6-phenyl-2-(phenylmethylsulfanyl)pyrimidine-4-thiolate Openeye Name: 2-benzylsulfanyl-5-cyano-6-phenyl-pyrimidine-4-thiolate CAS Name: 5-cyano-6-phenyl-2-(phenylmethylthio)-4-pyrimidinethiolate IUPAC Name: 2-benzylsulfanyl-5-cyano-6-phenylpyrimidine-4-thiolate Traditional Name: 2-(benzylthio)-5-cyano-6-phenyl-pyrimidine-4-thiolate Formula: C18H12N3S2- MolecularWeight: 334.43798

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3S2/c19-11-15-16(14-9-5-2-6-10-14)20-18(21-17(15)22)23-12-13-7-3-1-4-8-13/h1-10H,12H2,(H,20,21,22)/p-1