5-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[4-(3-pyridinylmethylthio)phenyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[4-(3-pyridylmethylthio)phenyl]-1H-pyrazole-4-carboxamide Formula: C22H17ClN4OS MolecularWeight: 420.91458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NC(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NC(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN4OS/c23-17-5-3-16(4-6-17)21-20(13-25-27-21)22(28)26-18-7-9-19(10-8-18)29-14-15-2-1-11-24-12-15/h1-13H,14H2,(H,25,27)(H,26,28)