6-(3-chlorophenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-chlorophenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(3-chlorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-chlorophenyl)-4-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-(3-chlorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-6-(3-chlorophenyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C18H12ClN3OS MolecularWeight: 353.82538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC(=CC=C3)Cl)C#N

InChI

InChI=1S/C18H12ClN3OS/c19-14-8-4-7-13(9-14)16-15(10-20)17(23)22-18(21-16)24-11-12-5-2-1-3-6-12/h1-9H,11H2,(H,21,22,23)