2-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(2-chlorophenyl)methylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(2-chlorobenzyl)thio]-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C18H12ClN3OS MolecularWeight: 353.82538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=CC=C3Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=CC=C3Cl)C#N

InChI

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