1,3-dimethyl-4-(phenylmethyl)pyrazolo[3,4-b][1,4]benzothiazepin-5-one

Systemtic Name: 1,3-dimethyl-4-(phenylmethyl)pyrazolo[3,4-b][1,4]benzothiazepin-5-one Openeye Name: 4-benzyl-1,3-dimethyl-pyrazolo[3,4-b][1,4]benzothiazepin-5-one CAS Name: 1,3-dimethyl-4-(phenylmethyl)-5-pyrazolo[3,4-b][1,4]benzothiazepinone IUPAC Name: 4-benzyl-1,3-dimethylpyrazolo[3,4-b][1,4]benzothiazepin-5-one Traditional Name: 4-benzyl-1,3-dimethyl-pyrazolo[3,4-b][1,4]benzothiazepin-5-one Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N(C(=O)C3=CC=CC=C3S2)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=C1N(C(=O)C3=CC=CC=C3S2)CC4=CC=CC=C4)C

InChI

InChI=1S/C19H17N3OS/c1-13-17-19(21(2)20-13)24-16-11-7-6-10-15(16)18(23)22(17)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3