4-methylsulfanyl-2,6-bis(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-methylsulfanyl-2,6-bis(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2,4-bis(benzylsulfanyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(methylthio)-2,6-bis(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2,4-bis(benzylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2,4-bis(benzylthio)-6-(methylthio)pyrimidine-5-carbonitrile Formula: C20H17N3S3 MolecularWeight: 395.56408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)SCC2=CC=CC=C2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)SCC2=CC=CC=C2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H17N3S3/c1-24-18-17(12-21)19(25-13-15-8-4-2-5-9-15)23-20(22-18)26-14-16-10-6-3-7-11-16/h2-11H,13-14H2,1H3