1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxidanylidene-3-pyridin-4-yl-5,7-dihydroindazole-5-carbonitrile

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxidanylidene-3-pyridin-4-yl-5,7-dihydroindazole-5-carbonitrile Openeye Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-(4-pyridyl)-5,7-dihydroindazole-5-carbonitrile CAS Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-pyridin-4-yl-5,7-dihydroindazole-5-carbonitrile IUPAC Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-pyridin-4-yl-5,7-dihydroindazole-5-carbonitrile Traditional Name: 1-(1,3-benzothiazol-2-yl)-4-keto-6,6-dimethyl-3-(4-pyridyl)-5,7-dihydroindazole-5-carbonitrile Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1C#N)C(=NN2C3=NC4=CC=CC=C4S3)C5=CC=NC=C5)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1C#N)C(=NN2C3=NC4=CC=CC=C4S3)C5=CC=NC=C5)C

InChI

InChI=1S/C22H17N5OS/c1-22(2)11-16-18(20(28)14(22)12-23)19(13-7-9-24-10-8-13)26-27(16)21-25-15-5-3-4-6-17(15)29-21/h3-10,14H,11H2,1-2H3