2-[3-(3,4-dimethylphenoxy)propylsulfanyl]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[3-(3,4-dimethylphenoxy)propylsulfanyl]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[3-(3,4-dimethylphenoxy)propylsulfanyl]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[3-(3,4-dimethylphenoxy)propylthio]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[3-(3,4-dimethylphenoxy)propylsulfanyl]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[3-(3,4-dimethylphenoxy)propylthio]-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S/c1-15-5-8-19(13-16(15)2)29-11-4-12-30-23-25-21(20(14-24)22(27)26-23)17-6-9-18(28-3)10-7-17/h5-10,13H,4,11-12H2,1-3H3,(H,25,26,27)