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

Systemtic Name: 4-chloranyl-6-cyclohexyl-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-chloro-6-cyclohexyl-pyrimidine-5-carbonitrile CAS Name: 4-chloro-6-cyclohexyl-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-chloro-6-cyclohexylpyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-chloro-6-cyclohexyl-pyrimidine-5-carbonitrile Formula: C18H18ClN3S MolecularWeight: 343.87362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)Cl)C#N

Isomeric SMILES

C1CCC(CC1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)Cl)C#N

InChI

InChI=1S/C18H18ClN3S/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/h1,3-4,7-8,14H,2,5-6,9-10,12H2