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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-(2,6-dimethoxyphenyl)-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindazole-5-carbonitrile Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-(2,6-dimethoxyphenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazole-5-carbonitrile CAS Name: 1-(1,3-benzothiazol-2-yl)-3-(2,6-dimethoxyphenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazole-5-carbonitrile IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-(2,6-dimethoxyphenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazole-5-carbonitrile Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-(2,6-dimethoxyphenyl)-4-keto-6,6-dimethyl-5,7-dihydroindazole-5-carbonitrile Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1C#N)C(=NN2C3=NC4=CC=CC=C4S3)C5=C(C=CC=C5OC)OC)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1C#N)C(=NN2C3=NC4=CC=CC=C4S3)C5=C(C=CC=C5OC)OC)C

InChI

InChI=1S/C25H22N4O3S/c1-25(2)12-16-20(23(30)14(25)13-26)22(21-17(31-3)9-7-10-18(21)32-4)28-29(16)24-27-15-8-5-6-11-19(15)33-24/h5-11,14H,12H2,1-4H3