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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxidanylidene-3-thiophen-2-yl-5,7-dihydroindazole-5-carbonitrile Openeye Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-(2-thienyl)-5,7-dihydroindazole-5-carbonitrile CAS Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-thiophen-2-yl-5,7-dihydroindazole-5-carbonitrile IUPAC Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-thiophen-2-yl-5,7-dihydroindazole-5-carbonitrile Traditional Name: 1-(1,3-benzothiazol-2-yl)-4-keto-6,6-dimethyl-3-(2-thienyl)-5,7-dihydroindazole-5-carbonitrile Formula: C21H16N4OS2 MolecularWeight: 404.50794

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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=CS5)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1C#N)C(=NN2C3=NC4=CC=CC=C4S3)C5=CC=CS5)C

InChI

InChI=1S/C21H16N4OS2/c1-21(2)10-14-17(19(26)12(21)11-22)18(16-8-5-9-27-16)24-25(14)20-23-13-6-3-4-7-15(13)28-20/h3-9,12H,10H2,1-2H3