2-[3-(4-methylphenoxy)propylsulfanyl]-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[3-(4-methylphenoxy)propylsulfanyl]-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[3-(4-methylphenoxy)propylsulfanyl]-4-oxo-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[3-(4-methylphenoxy)propylthio]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[3-(4-methylphenoxy)propylsulfanyl]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[3-(4-methylphenoxy)propylthio]-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCOC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCOC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C22H21N3O2S/c1-15-4-8-17(9-5-15)20-19(14-23)21(26)25-22(24-20)28-13-3-12-27-18-10-6-16(2)7-11-18/h4-11H,3,12-13H2,1-2H3,(H,24,25,26)