6-(3-chlorophenyl)-2-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-chlorophenyl)-2-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-chlorophenyl)-2-methyl-4-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-chlorophenyl)-2-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-chlorophenyl)-2-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(3-chlorophenyl)-2-methyl-4-thioxo-1H-pyrimidine-5-carbonitrile Formula: C12H8ClN3S MolecularWeight: 261.73002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClN3S/c1-7-15-11(10(6-14)12(17)16-7)8-3-2-4-9(13)5-8/h2-5H,1H3,(H,15,16,17)