3-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 3-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-3-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-3-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-1,2-dihydropyrimidine-5-carbonitrile Formula: C28H23N5O3S MolecularWeight: 509.57892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C3NC(=O)C(=C(N3C4=CC=CC=C4OC)S)C#N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C3NC(=O)C(=C(N3C4=CC=CC=C4OC)S)C#N)C5=CC=CC=C5

InChI

InChI=1S/C28H23N5O3S/c1-35-20-14-12-18(13-15-20)25-22(17-32(31-25)19-8-4-3-5-9-19)26-30-27(34)21(16-29)28(37)33(26)23-10-6-7-11-24(23)36-2/h3-15,17,26,37H,1-2H3,(H,30,34)