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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxidanylidene-3-(thiophen-2-ylmethyl)-5,7-dihydroindazole-5-carbonitrile Openeye Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-(2-thienylmethyl)-5,7-dihydroindazole-5-carbonitrile CAS Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-(thiophen-2-ylmethyl)-5,7-dihydroindazole-5-carbonitrile IUPAC Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-(thiophen-2-ylmethyl)-5,7-dihydroindazole-5-carbonitrile Traditional Name: 1-(1,3-benzothiazol-2-yl)-4-keto-6,6-dimethyl-3-(2-thenyl)-5,7-dihydroindazole-5-carbonitrile Formula: C22H18N4OS2 MolecularWeight: 418.53452

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=NN2C3=NC4=CC=CC=C4S3)CC5=CC=CS5)C(=O)C1C#N)C

Isomeric SMILES

CC1(CC2=C(C(=NN2C3=NC4=CC=CC=C4S3)CC5=CC=CS5)C(=O)C1C#N)C

InChI

InChI=1S/C22H18N4OS2/c1-22(2)11-17-19(20(27)14(22)12-23)16(10-13-6-5-9-28-13)25-26(17)21-24-15-7-3-4-8-18(15)29-21/h3-9,14H,10-11H2,1-2H3