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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxidanylidene-3-(phenoxymethyl)-5,7-dihydroindazole-5-carbonitrile Openeye Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-(phenoxymethyl)-5,7-dihydroindazole-5-carbonitrile CAS Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-(phenoxymethyl)-5,7-dihydroindazole-5-carbonitrile IUPAC Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-(phenoxymethyl)-5,7-dihydroindazole-5-carbonitrile Traditional Name: 1-(1,3-benzothiazol-2-yl)-4-keto-6,6-dimethyl-3-(phenoxymethyl)-5,7-dihydroindazole-5-carbonitrile Formula: C24H20N4O2S MolecularWeight: 428.5062

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=NN2C3=NC4=CC=CC=C4S3)COC5=CC=CC=C5)C(=O)C1C#N)C

Isomeric SMILES

CC1(CC2=C(C(=NN2C3=NC4=CC=CC=C4S3)COC5=CC=CC=C5)C(=O)C1C#N)C

InChI

InChI=1S/C24H20N4O2S/c1-24(2)12-19-21(22(29)16(24)13-25)18(14-30-15-8-4-3-5-9-15)27-28(19)23-26-17-10-6-7-11-20(17)31-23/h3-11,16H,12,14H2,1-2H3