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

Systemtic Name: 2-[2-(4-methylphenoxy)ethylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[2-(4-methylphenoxy)ethylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[2-(4-methylphenoxy)ethylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(4-methylphenoxy)ethylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[2-(4-methylphenoxy)ethylthio]-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)OCCSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

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