N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methoxy-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methoxy-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methoxy-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-methoxy-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-methoxy-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C24H25N5O2S2 MolecularWeight: 479.6176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=C4C(=C3OC)C(=NN4C)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=C4C(=C3OC)C(=NN4C)C

InChI

InChI=1S/C24H25N5O2S2/c1-5-6-7-8-9-12-32-24-27-18-11-10-16(13-19(18)33-24)26-23(30)17-14-25-22-20(21(17)31-4)15(2)28-29(22)3/h10-11,13-14H,5-6,9,12H2,1-4H3,(H,26,30)