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

Systemtic Name: methyl 5-[4-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate Openeye Name: methyl 5-[4-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate CAS Name: 5-[4-[(4-chlorophenyl)thio]-1-(4-fluorophenyl)-3-pyrazolyl]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate Traditional Name: 5-[4-[(4-chlorophenyl)thio]-1-(4-fluorophenyl)pyrazol-3-yl]pyrazinic acid methyl ester Formula: C21H14ClFN4O2S MolecularWeight: 440.877863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(N=C1)C2=NN(C=C2SC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=NC=C(N=C1)C2=NN(C=C2SC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H14ClFN4O2S/c1-29-21(28)18-11-24-17(10-25-18)20-19(30-16-8-2-13(22)3-9-16)12-27(26-20)15-6-4-14(23)5-7-15/h2-12H,1H3