1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxidanylidene-3-quinoxalin-2-yl-2,5,7,7a-tetrahydroindazole-5-carbonitrile

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxidanylidene-3-quinoxalin-2-yl-2,5,7,7a-tetrahydroindazole-5-carbonitrile Openeye Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-quinoxalin-2-yl-2,5,7,7a-tetrahydroindazole-5-carbonitrile CAS Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-(2-quinoxalinyl)-2,5,7,7a-tetrahydroindazole-5-carbonitrile IUPAC Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-quinoxalin-2-yl-2,5,7,7a-tetrahydroindazole-5-carbonitrile Traditional Name: 1-(1,3-benzothiazol-2-yl)-4-keto-6,6-dimethyl-3-quinoxalin-2-yl-2,5,7,7a-tetrahydroindazole-5-carbonitrile Formula: C25H20N6OS MolecularWeight: 452.5309

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C(=C(NN2C3=NC4=CC=CC=C4S3)C5=NC6=CC=CC=C6N=C5)C(=O)C1C#N)C

Isomeric SMILES

CC1(CC2C(=C(NN2C3=NC4=CC=CC=C4S3)C5=NC6=CC=CC=C6N=C5)C(=O)C1C#N)C

InChI

InChI=1S/C25H20N6OS/c1-25(2)11-19-21(23(32)14(25)12-26)22(18-13-27-15-7-3-4-8-16(15)28-18)30-31(19)24-29-17-9-5-6-10-20(17)33-24/h3-10,13-14,19,30H,11H2,1-2H3