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

Systemtic Name: 6-(4-methoxyphenyl)-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-allylsulfanyl-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-4-oxo-2-(prop-2-enylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-4-oxo-2-prop-2-enylsulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(allylthio)-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S/c1-3-8-21-15-17-13(12(9-16)14(19)18-15)10-4-6-11(20-2)7-5-10/h3-7H,1,8H2,2H3,(H,17,18,19)