N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-(1-pyrazolylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=NN(C=C2)CN3C=CC=N3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=NN(C=C2)CN3C=CC=N3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN5OS/c21-15-6-8-16(9-7-15)28-19-5-2-1-4-17(19)23-20(27)18-10-13-26(24-18)14-25-12-3-11-22-25/h1-13H,14H2,(H,23,27)