1-phenyl-3-pyridin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-3-pyridin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazole-4-carboxamide Openeye Name: 1-phenyl-3-(3-pyridyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]pyrazole-4-carboxamide CAS Name: 1-phenyl-3-(3-pyridinyl)-N-[4-(3-pyridinylmethylthio)phenyl]-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-3-pyridin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazole-4-carboxamide Traditional Name: 1-phenyl-3-(3-pyridyl)-N-[4-(3-pyridylmethylthio)phenyl]pyrazole-4-carboxamide Formula: C27H21N5OS MolecularWeight: 463.55354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

InChI

InChI=1S/C27H21N5OS/c33-27(30-22-10-12-24(13-11-22)34-19-20-6-4-14-28-16-20)25-18-32(23-8-2-1-3-9-23)31-26(25)21-7-5-15-29-17-21/h1-18H,19H2,(H,30,33)