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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)C3=CC=NC=C3)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)C3=CC=NC=C3)C#N)Cl

InChI

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