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

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-6-ethyl-4-keto-1H-pyrimidine-5-carbonitrile Formula: C15H12ClN3O2S MolecularWeight: 333.79268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O2S/c1-2-12-11(7-17)14(21)19-15(18-12)22-8-13(20)9-3-5-10(16)6-4-9/h3-6H,2,8H2,1H3,(H,18,19,21)