(4-butylsulfanyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenyl-methanone

Systemtic Name: (4-butylsulfanyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenyl-methanone Openeye Name: (4-butylsulfanyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenyl-methanone CAS Name: [4-(butylthio)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenylmethanone IUPAC Name: (4-butylsulfanyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone Traditional Name: [4-(butylthio)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl-methanone Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C2C=NNC2=NC=C1C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCSC1=C2C=NNC2=NC=C1C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c1-2-3-9-22-16-13(10-18-17-14(16)11-19-20-17)15(21)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,18,19,20)