1-(1,3-benzothiazol-2-yl)-3-cyclopropyl-1,6-dimethyl-7-oxidanylidene-5,6-dihydro-4H-indazol-1-ium-5-carbonitrile

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-cyclopropyl-1,6-dimethyl-7-oxidanylidene-5,6-dihydro-4H-indazol-1-ium-5-carbonitrile Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-cyclopropyl-1,6-dimethyl-7-oxo-5,6-dihydro-4H-indazol-1-ium-5-carbonitrile CAS Name: 1-(1,3-benzothiazol-2-yl)-3-cyclopropyl-1,6-dimethyl-7-oxo-5,6-dihydro-4H-indazol-1-ium-5-carbonitrile IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-cyclopropyl-1,6-dimethyl-7-oxo-5,6-dihydro-4H-indazol-1-ium-5-carbonitrile Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-cyclopropyl-7-keto-1,6-dimethyl-5,6-dihydro-4H-indazol-1-ium-5-carbonitrile Formula: C20H19N4OS+ MolecularWeight: 363.45606

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC2=C(C1=O)[N+](N=C2C3CC3)(C)C4=NC5=CC=CC=C5S4)C#N

Isomeric SMILES

CC1C(CC2=C(C1=O)[N+](N=C2C3CC3)(C)C4=NC5=CC=CC=C5S4)C#N

InChI

InChI=1S/C20H19N4OS/c1-11-13(10-21)9-14-17(12-7-8-12)23-24(2,18(14)19(11)25)20-22-15-5-3-4-6-16(15)26-20/h3-6,11-13H,7-9H2,1-2H3/q+1