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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(C1C#N)N(N=C2C3=C(C=CC=C3OC)OC)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1(CC(=O)C2=C(C1C#N)N(N=C2C3=C(C=CC=C3OC)OC)C4=NC5=CC=CC=C5S4)C

InChI

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