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

Systemtic Name: 2-[3-(4-methylphenoxy)propylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[3-(4-methylphenoxy)propylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[3-(4-methylphenoxy)propylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[3-(4-methylphenoxy)propylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[3-(4-methylphenoxy)propylthio]-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)OCCCSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

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