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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindazole-7-carbonitrile Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-(2-furyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazole-7-carbonitrile CAS Name: 1-(1,3-benzothiazol-2-yl)-3-(2-furanyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazole-7-carbonitrile IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-6,6-dimethyl-4-oxo-5,7-dihydroindazole-7-carbonitrile Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-(2-furyl)-4-keto-6,6-dimethyl-5,7-dihydroindazole-7-carbonitrile Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(C1C#N)N(N=C2C3=CC=CO3)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1(CC(=O)C2=C(C1C#N)N(N=C2C3=CC=CO3)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C21H16N4O2S/c1-21(2)10-14(26)17-18(15-7-5-9-27-15)24-25(19(17)12(21)11-22)20-23-13-6-3-4-8-16(13)28-20/h3-9,12H,10H2,1-2H3