4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 4-[(3,4-dichlorophenyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-[(3,4-dichlorobenzyl)thio]-2-keto-6-methyl-1H-pyrimidine-5-carbonitrile Formula: C13H9Cl2N3OS MolecularWeight: 326.20106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CC(=C(C=C2)Cl)Cl)C#N

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CC(=C(C=C2)Cl)Cl)C#N

InChI

InChI=1S/C13H9Cl2N3OS/c1-7-9(5-16)12(18-13(19)17-7)20-6-8-2-3-10(14)11(15)4-8/h2-4H,6H2,1H3,(H,17,18,19)