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

Systemtic Name: 2-[4-(4-methylphenoxy)butylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[4-(4-methylphenoxy)butylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[4-(4-methylphenoxy)butylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[4-(4-methylphenoxy)butylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[4-(4-methylphenoxy)butylthio]-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCCSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)OCCCCSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H21N3O2S/c1-16-9-11-18(12-10-16)27-13-5-6-14-28-22-24-20(17-7-3-2-4-8-17)19(15-23)21(26)25-22/h2-4,7-12H,5-6,13-14H2,1H3,(H,24,25,26)