5-cyclopropyl-2-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 5-cyclopropyl-2-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazole-3-carboxamide Openeye Name: 5-cyclopropyl-2-phenyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-2-phenyl-N-[4-(3-pyridinylmethylthio)phenyl]-3-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-2-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazole-3-carboxamide Traditional Name: 5-cyclopropyl-2-phenyl-N-[4-(3-pyridylmethylthio)phenyl]pyrazole-3-carboxamide Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4OS/c30-25(24-15-23(19-8-9-19)28-29(24)21-6-2-1-3-7-21)27-20-10-12-22(13-11-20)31-17-18-5-4-14-26-16-18/h1-7,10-16,19H,8-9,17H2,(H,27,30)