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

Systemtic Name: 4-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-chloro-pyrimidine-5-carbonitrile CAS Name: 4-chloro-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-chloropyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-chloro-pyrimidine-5-carbonitrile Formula: C12H8ClN3S MolecularWeight: 261.73002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClN3S/c13-11-10(6-14)7-15-12(16-11)17-8-9-4-2-1-3-5-9/h1-5,7H,8H2