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

Systemtic Name: 6-(4-methoxyphenyl)-4-oxidanylidene-2-phenethylsulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-4-oxo-2-phenethylsulfanyl-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-4-oxo-2-(phenethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-4-oxo-2-phenethylsulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-(phenethylthio)-1H-pyrimidine-5-carbonitrile Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H17N3O2S/c1-25-16-9-7-15(8-10-16)18-17(13-21)19(24)23-20(22-18)26-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,23,24)