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

Systemtic Name: 6-(3-methoxyphenyl)-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-allylsulfanyl-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-methoxyphenyl)-4-oxo-2-(prop-2-enylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-methoxyphenyl)-4-oxo-2-prop-2-enylsulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(allylthio)-4-keto-6-(3-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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