4-(4-chlorophenyl)-6-phenylsulfanyl-2-pyridin-3-yl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-6-phenylsulfanyl-2-pyridin-3-yl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-phenylsulfanyl-2-(3-pyridyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-(phenylthio)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-(phenylthio)-2-(3-pyridyl)pyrimidine-5-carbonitrile Formula: C22H13ClN4S MolecularWeight: 400.88342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C22H13ClN4S/c23-17-10-8-15(9-11-17)20-19(13-24)22(28-18-6-2-1-3-7-18)27-21(26-20)16-5-4-12-25-14-16/h1-12,14H