4-chloranyl-6-phenyl-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-chloranyl-6-phenyl-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-chloro-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-chloro-6-phenyl-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-chloro-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-chloro-6-phenyl-pyrimidine-5-carbonitrile Formula: C18H12ClN3S MolecularWeight: 337.82598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3S/c19-17-15(11-20)16(14-9-5-2-6-10-14)21-18(22-17)23-12-13-7-3-1-4-8-13/h1-10H,12H2