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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-ethyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-6-ethyl-4-keto-1H-pyrimidine-5-carbonitrile Formula: C14H11Cl2N3OS MolecularWeight: 340.22764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC2=CC(=C(C=C2)Cl)Cl)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC2=CC(=C(C=C2)Cl)Cl)C#N

InChI

InChI=1S/C14H11Cl2N3OS/c1-2-12-9(6-17)13(20)19-14(18-12)21-7-8-3-4-10(15)11(16)5-8/h3-5H,2,7H2,1H3,(H,18,19,20)