N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-(1,3-dithiolan-2-yl)benzamide

Systemtic Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-(1,3-dithiolan-2-yl)benzamide Formula: C18H18N4OS2 MolecularWeight: 370.49172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NC(=O)C3=CC=C(C=C3)C4SCCS4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NC(=O)C3=CC=C(C=C3)C4SCCS4)C

InChI

InChI=1S/C18H18N4OS2/c1-11-15-9-14(10-19-16(15)22(2)21-11)20-17(23)12-3-5-13(6-4-12)18-24-7-8-25-18/h3-6,9-10,18H,7-8H2,1-2H3,(H,20,23)