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

Systemtic Name: 2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-6-ethyl-4-keto-1H-pyrimidine-5-carbonitrile Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-4-14-13(8-18)16(22)20-17(19-14)23-9-15(21)12-6-5-10(2)11(3)7-12/h5-7H,4,9H2,1-3H3,(H,19,20,22)