6-(4-chlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-chlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-chlorophenyl)-2-[2-(4-methoxyphenoxy)ethylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-chlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-chlorophenyl)-4-keto-2-[2-(4-methoxyphenoxy)ethylthio]-1H-pyrimidine-5-carbonitrile Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)OCCSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H16ClN3O3S/c1-26-15-6-8-16(9-7-15)27-10-11-28-20-23-18(17(12-22)19(25)24-20)13-2-4-14(21)5-3-13/h2-9H,10-11H2,1H3,(H,23,24,25)