N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-[(3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C22H20ClN5OS MolecularWeight: 437.9451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=NN1CN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C22H20ClN5OS/c1-15-13-16(2)28(25-15)14-27-12-11-20(26-27)22(29)24-19-5-3-4-6-21(19)30-18-9-7-17(23)8-10-18/h3-13H,14H2,1-2H3,(H,24,29)