6-cyclohexyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-cyclohexyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-6-cyclohexyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-cyclohexyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-cyclohexyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-6-cyclohexyl-4-keto-1H-pyrimidine-5-carbonitrile Formula: C18H19N3OS MolecularWeight: 325.42796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3OS/c19-11-15-16(14-9-5-2-6-10-14)20-18(21-17(15)22)23-12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-10,12H2,(H,20,21,22)