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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxidanylidene-3-quinoxalin-2-yl-5,7-dihydroindazole-7-carbonitrile Openeye Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-quinoxalin-2-yl-5,7-dihydroindazole-7-carbonitrile CAS Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-(2-quinoxalinyl)-5,7-dihydroindazole-7-carbonitrile IUPAC Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-4-oxo-3-quinoxalin-2-yl-5,7-dihydroindazole-7-carbonitrile Traditional Name: 1-(1,3-benzothiazol-2-yl)-4-keto-6,6-dimethyl-3-quinoxalin-2-yl-5,7-dihydroindazole-7-carbonitrile Formula: C25H18N6OS MolecularWeight: 450.51502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(C1C#N)N(N=C2C3=NC4=CC=CC=C4N=C3)C5=NC6=CC=CC=C6S5)C

Isomeric SMILES

CC1(CC(=O)C2=C(C1C#N)N(N=C2C3=NC4=CC=CC=C4N=C3)C5=NC6=CC=CC=C6S5)C

InChI

InChI=1S/C25H18N6OS/c1-25(2)11-19(32)21-22(18-13-27-15-7-3-4-8-16(15)28-18)30-31(23(21)14(25)12-26)24-29-17-9-5-6-10-20(17)33-24/h3-10,13-14H,11H2,1-2H3