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

Systemtic Name: 6-(4-methoxyphenyl)-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-4-oxo-2-phenacylsulfanyl-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-4-oxo-2-(phenacylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-4-oxo-2-phenacylsulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-(phenacylthio)-1H-pyrimidine-5-carbonitrile Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H15N3O3S/c1-26-15-9-7-14(8-10-15)18-16(11-21)19(25)23-20(22-18)27-12-17(24)13-5-3-2-4-6-13/h2-10H,12H2,1H3,(H,22,23,25)