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

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]benzamide Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)NCC3=CC(=NC=C3)N4C=CC=N4

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)NCC3=CC(=NC=C3)N4C=CC=N4

InChI

InChI=1S/C20H20N4OS2/c25-19(16-3-5-17(6-4-16)20-26-11-2-12-27-20)22-14-15-7-9-21-18(13-15)24-10-1-8-23-24/h1,3-10,13,20H,2,11-12,14H2,(H,22,25)