2-[2-(4-methylphenoxy)ethylsulfanyl]-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[2-(4-methylphenoxy)ethylsulfanyl]-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[2-(4-methylphenoxy)ethylsulfanyl]-4-oxo-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[2-(4-methylphenoxy)ethylthio]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(4-methylphenoxy)ethylsulfanyl]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[2-(4-methylphenoxy)ethylthio]-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCOC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCOC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C21H19N3O2S/c1-14-3-7-16(8-4-14)19-18(13-22)20(25)24-21(23-19)27-12-11-26-17-9-5-15(2)6-10-17/h3-10H,11-12H2,1-2H3,(H,23,24,25)