ethyl 2-[3-cyano-4-(1,3-diphenylpyrazol-4-yl)-6-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyano-4-(1,3-diphenylpyrazol-4-yl)-6-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-4-(1,3-diphenylpyrazol-4-yl)-6-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(1,3-diphenyl-4-pyrazolyl)-6-phenyl-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-4-(1,3-diphenylpyrazol-4-yl)-6-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(1,3-diphenylpyrazol-4-yl)-6-phenyl-2-pyridyl]thio]acetic acid ethyl ester Formula: C31H24N4O2S MolecularWeight: 516.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C31H24N4O2S/c1-2-37-29(36)21-38-31-26(19-32)25(18-28(33-31)22-12-6-3-7-13-22)27-20-35(24-16-10-5-11-17-24)34-30(27)23-14-8-4-9-15-23/h3-18,20H,2,21H2,1H3