6-ethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-ethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-4-oxo-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-[[2-keto-2-(p-tolyl)ethyl]thio]-1H-pyrimidine-5-carbonitrile Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C16H15N3O2S/c1-3-13-12(8-17)15(21)19-16(18-13)22-9-14(20)11-6-4-10(2)5-7-11/h4-7H,3,9H2,1-2H3,(H,18,19,21)