methyl 5-[4-[4-(4-chlorophenyl)sulfanyl-1-pyridin-3-yl-pyrazol-3-yl]phenyl]pyrazine-2-carboxylate

Systemtic Name: methyl 5-[4-[4-(4-chlorophenyl)sulfanyl-1-pyridin-3-yl-pyrazol-3-yl]phenyl]pyrazine-2-carboxylate Openeye Name: methyl 5-[4-[4-(4-chlorophenyl)sulfanyl-1-(3-pyridyl)pyrazol-3-yl]phenyl]pyrazine-2-carboxylate CAS Name: 5-[4-[4-[(4-chlorophenyl)thio]-1-(3-pyridinyl)-3-pyrazolyl]phenyl]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[4-(4-chlorophenyl)sulfanyl-1-pyridin-3-ylpyrazol-3-yl]phenyl]pyrazine-2-carboxylate Traditional Name: 5-[4-[4-[(4-chlorophenyl)thio]-1-(3-pyridyl)pyrazol-3-yl]phenyl]pyrazinic acid methyl ester Formula: C26H18ClN5O2S MolecularWeight: 499.97142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(N=C1)C2=CC=C(C=C2)C3=NN(C=C3SC4=CC=C(C=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

COC(=O)C1=NC=C(N=C1)C2=CC=C(C=C2)C3=NN(C=C3SC4=CC=C(C=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C26H18ClN5O2S/c1-34-26(33)23-15-29-22(14-30-23)17-4-6-18(7-5-17)25-24(35-21-10-8-19(27)9-11-21)16-32(31-25)20-3-2-12-28-13-20/h2-16H,1H3