N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-(1,3-dithian-2-yl)benzamide

Systemtic Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-(1,3-dithian-2-yl)benzamide Openeye Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-4-(1,3-dithian-2-yl)benzamide CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]-4-(1,3-dithian-2-yl)benzamide IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-(1,3-dithian-2-yl)benzamide Traditional Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-4-(1,3-dithian-2-yl)benzamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4)C

InChI

InChI=1S/C21H22N4OS2/c1-14-12-15(2)25(24-14)19-9-8-18(13-22-19)23-20(26)16-4-6-17(7-5-16)21-27-10-3-11-28-21/h4-9,12-13,21H,3,10-11H2,1-2H3,(H,23,26)