4-(1,3-dithiolan-2-yl)-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]benzamide Formula: C19H18N4OS2 MolecularWeight: 382.50242

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)NCC3=CC(=NC=C3)N4C=CC=N4

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)NCC3=CC(=NC=C3)N4C=CC=N4

InChI

InChI=1S/C19H18N4OS2/c24-18(15-2-4-16(5-3-15)19-25-10-11-26-19)21-13-14-6-8-20-17(12-14)23-9-1-7-22-23/h1-9,12,19H,10-11,13H2,(H,21,24)