2-(1,3-benzothiazol-2-yl)-4-methyl-5-(phenylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(phenylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-benzyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione CAS Name: 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(phenylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-benzyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-benzyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-quinone Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=O)N1CC3=CC=CC=C3)NN(C2=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C2C(=CC(=O)N1CC3=CC=CC=C3)NN(C2=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H16N4O2S/c1-13-19-16(11-18(26)24(13)12-14-7-3-2-4-8-14)23-25(20(19)27)21-22-15-9-5-6-10-17(15)28-21/h2-11,23H,12H2,1H3