6-(3-methoxyphenyl)-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-methoxyphenyl)-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-methoxyphenyl)-2-methylsulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-methoxyphenyl)-2-(methylthio)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-methoxyphenyl)-2-methylsulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(3-methoxyphenyl)-2-(methylthio)-1H-pyrimidine-5-carbonitrile Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SC)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SC)C#N

InChI

InChI=1S/C13H11N3O2S/c1-18-9-5-3-4-8(6-9)11-10(7-14)12(17)16-13(15-11)19-2/h3-6H,1-2H3,(H,15,16,17)