2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-[3-(2-thienyl)-7-(2-thienylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-1-[7-(2-thenylidene)-3-(2-thienyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone Formula: C23H21N3O2S3 MolecularWeight: 467.62674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C(=O)CSC4=CC=CC=[N+]4[O-])C5=CC=CS5

Isomeric SMILES

C1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C(=O)CSC4=CC=CC=[N+]4[O-])C5=CC=CS5

InChI

InChI=1S/C23H21N3O2S3/c27-20(15-31-21-10-1-2-11-25(21)28)26-23(19-9-5-13-30-19)18-8-3-6-16(22(18)24-26)14-17-7-4-12-29-17/h1-2,4-5,7,9-14,18,23H,3,6,8,15H2