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

Systemtic Name: 3-(4-ethoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(4-ethoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 3-(4-ethoxyphenyl)-4-mercapto-2-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(4-ethoxyphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-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-p-phenetyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C29H25N5O3S MolecularWeight: 523.6055

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C29H25N5O3S/c1-3-37-23-15-11-21(12-16-23)34-27(31-28(35)24(17-30)29(34)38)25-18-33(20-7-5-4-6-8-20)32-26(25)19-9-13-22(36-2)14-10-19/h4-16,18,27,38H,3H2,1-2H3,(H,31,35)