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

Systemtic Name: 2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-3-naphthalen-1-yl-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-3-(1-naphthyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-3-(1-naphthalenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-naphthalen-1-yl-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-3-(1-naphthyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C31H23N5O2S MolecularWeight: 529.61162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C3NC(=O)C(=C(N3C4=CC=CC5=CC=CC=C54)S)C#N)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C3NC(=O)C(=C(N3C4=CC=CC5=CC=CC=C54)S)C#N)C6=CC=CC=C6

InChI

InChI=1S/C31H23N5O2S/c1-38-23-16-14-21(15-17-23)28-26(19-35(34-28)22-10-3-2-4-11-22)29-33-30(37)25(18-32)31(39)36(29)27-13-7-9-20-8-5-6-12-24(20)27/h2-17,19,29,39H,1H3,(H,33,37)