N-[3-(4-fluorophenyl)sulfanylpropyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[3-[(4-fluorophenyl)thio]propyl]-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C25H23FN4OS MolecularWeight: 446.539723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C(=O)NCCCSC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C(=O)NCCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN4OS/c26-21-9-11-22(12-10-21)32-15-5-14-28-25(31)23-18-30(17-19-6-2-1-3-7-19)29-24(23)20-8-4-13-27-16-20/h1-4,6-13,16,18H,5,14-15,17H2,(H,28,31)