4-(1,3-dithian-2-yl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]benzamide

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[(6-pyrazol-1-yl-3-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=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

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

InChI

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