6-azanyl-3-methyl-4-(4-methylsulfanylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile

Systemtic Name: 6-azanyl-3-methyl-4-(4-methylsulfanylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Openeye Name: 6-amino-3-methyl-4-(4-methylsulfanylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile CAS Name: 6-amino-3-methyl-4-[4-(methylthio)phenyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile IUPAC Name: 6-amino-3-methyl-4-(4-methylsulfanylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Traditional Name: 6-amino-3-methyl-4-[4-(methylthio)phenyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Formula: C21H18N5S+ MolecularWeight: 372.46612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=NC2=[N+](N1)C3=CC=CC=C3)N)C#N)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=C2C(=C(C(=NC2=[N+](N1)C3=CC=CC=C3)N)C#N)C4=CC=C(C=C4)SC

InChI

InChI=1S/C21H17N5S/c1-13-18-19(14-8-10-16(27-2)11-9-14)17(12-22)20(23)24-21(18)26(25-13)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,23,24,25)/p+1