6-(4-methylphenyl)-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-allylsulfanyl-4-oxo-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methylphenyl)-4-oxo-2-(prop-2-enylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methylphenyl)-4-oxo-2-prop-2-enylsulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(allylthio)-4-keto-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C15H13N3OS MolecularWeight: 283.34822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC=C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC=C)C#N

InChI

InChI=1S/C15H13N3OS/c1-3-8-20-15-17-13(12(9-16)14(19)18-15)11-6-4-10(2)5-7-11/h3-7H,1,8H2,2H3,(H,17,18,19)