N-(4-chlorophenyl)-1-methyl-5-(pyridin-4-ylmethylsulfanyl)pyrazole-4-carboxamide

Systemtic Name: N-(4-chlorophenyl)-1-methyl-5-(pyridin-4-ylmethylsulfanyl)pyrazole-4-carboxamide Openeye Name: N-(4-chlorophenyl)-1-methyl-5-(4-pyridylmethylsulfanyl)pyrazole-4-carboxamide CAS Name: N-(4-chlorophenyl)-1-methyl-5-(pyridin-4-ylmethylthio)-4-pyrazolecarboxamide IUPAC Name: N-(4-chlorophenyl)-1-methyl-5-(pyridin-4-ylmethylsulfanyl)pyrazole-4-carboxamide Traditional Name: N-(4-chlorophenyl)-1-methyl-5-(4-pyridylmethylthio)pyrazole-4-carboxamide Formula: C17H15ClN4OS MolecularWeight: 358.8452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)NC2=CC=C(C=C2)Cl)SCC3=CC=NC=C3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)NC2=CC=C(C=C2)Cl)SCC3=CC=NC=C3

InChI

InChI=1S/C17H15ClN4OS/c1-22-17(24-11-12-6-8-19-9-7-12)15(10-20-22)16(23)21-14-4-2-13(18)3-5-14/h2-10H,11H2,1H3,(H,21,23)