4-methylsulfanyl-2-phenyl-6-phenylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-methylsulfanyl-2-phenyl-6-phenylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-methylsulfanyl-2-phenyl-6-phenylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(methylthio)-2-phenyl-6-(phenylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-methylsulfanyl-2-phenyl-6-phenylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(methylthio)-2-phenyl-6-(phenylthio)pyrimidine-5-carbonitrile Formula: C18H13N3S2 MolecularWeight: 335.44592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)SC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)SC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H13N3S2/c1-22-17-15(12-19)18(23-14-10-6-3-7-11-14)21-16(20-17)13-8-4-2-5-9-13/h2-11H,1H3