6-(4-methylphenyl)-4-oxidanylidene-2-(3-phenoxypropylsulfanyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-4-oxidanylidene-2-(3-phenoxypropylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-(3-phenoxypropylsulfanyl)-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methylphenyl)-4-oxo-2-(3-phenoxypropylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methylphenyl)-4-oxo-2-(3-phenoxypropylsulfanyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(3-phenoxypropylthio)-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)SCCCOC3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S/c1-15-8-10-16(11-9-15)19-18(14-22)20(25)24-21(23-19)27-13-5-12-26-17-6-3-2-4-7-17/h2-4,6-11H,5,12-13H2,1H3,(H,23,24,25)