2-[(3,4-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-4-oxo-6-(4-pyridyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(3,4-dimethylphenyl)methylthio]-4-oxo-6-pyridin-4-yl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-4-oxo-6-pyridin-4-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(3,4-dimethylbenzyl)thio]-4-keto-6-(4-pyridyl)-1H-pyrimidine-5-carbonitrile Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC=NC=C3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC=NC=C3)C#N)C

InChI

InChI=1S/C19H16N4OS/c1-12-3-4-14(9-13(12)2)11-25-19-22-17(15-5-7-21-8-6-15)16(10-20)18(24)23-19/h3-9H,11H2,1-2H3,(H,22,23,24)