2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-4-oxo-6-(3-pyridinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-4-keto-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile Formula: C17H11ClN4OS MolecularWeight: 354.81344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CN=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C17H11ClN4OS/c18-13-5-3-11(4-6-13)10-24-17-21-15(12-2-1-7-20-9-12)14(8-19)16(23)22-17/h1-7,9H,10H2,(H,21,22,23)