methyl 5-azanyl-1-(4-chlorophenyl)-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-(4-chlorophenyl)-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: methyl 5-amino-3-benzylsulfanyl-1-(4-chlorophenyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(4-chlorophenyl)-3-(phenylmethylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-3-benzylsulfanyl-1-(4-chlorophenyl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-(benzylthio)-1-(4-chlorophenyl)pyrazole-4-carboxylic acid methyl ester Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H16ClN3O2S/c1-24-18(23)15-16(20)22(14-9-7-13(19)8-10-14)21-17(15)25-11-12-5-3-2-4-6-12/h2-10H,11,20H2,1H3