2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-(2-thiophen-2-ylethyl)-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-(2-thiophen-2-ylethyl)-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-[2-(2-thienyl)ethyl]-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-(2-thiophen-2-ylethyl)-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-(2-thiophen-2-ylethyl)-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-[2-(2-thienyl)ethyl]-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-quinone Formula: C20H17N4O2S2+ MolecularWeight: 409.50458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=O)N1CCC3=CC=CS3)N[N+](=C4NC5=CC=CC=C5S4)C2=O

Isomeric SMILES

CC1=C2C(=CC(=O)N1CCC3=CC=CS3)N[N+](=C4NC5=CC=CC=C5S4)C2=O

InChI

InChI=1S/C20H16N4O2S2/c1-12-18-15(11-17(25)23(12)9-8-13-5-4-10-27-13)22-24(19(18)26)20-21-14-6-2-3-7-16(14)28-20/h2-7,10-11H,8-9H2,1H3,(H,22,25)/p+1