4-butyl-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,2-diphenyl-pyrazolidin-1-ium-3,5-dione

Systemtic Name: 4-butyl-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,2-diphenyl-pyrazolidin-1-ium-3,5-dione Openeye Name: 4-butyl-1-(4,5-dihydrothiazol-2-ylamino)-1,2-diphenyl-pyrazolidin-1-ium-3,5-dione CAS Name: 4-butyl-1-(4,5-dihydrothiazol-2-ylamino)-1,2-diphenylpyrazolidin-1-ium-3,5-dione IUPAC Name: 4-butyl-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,2-diphenylpyrazolidin-1-ium-3,5-dione Traditional Name: 4-butyl-1,2-diphenyl-1-(2-thiazolin-2-ylamino)pyrazolidin-1-ium-3,5-quinone Formula: C22H25N4O2S+ MolecularWeight: 409.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N([N+](C1=O)(C2=CC=CC=C2)NC3=NCCS3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1C(=O)N([N+](C1=O)(C2=CC=CC=C2)NC3=NCCS3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N4O2S/c1-2-3-14-19-20(27)25(17-10-6-4-7-11-17)26(21(19)28,18-12-8-5-9-13-18)24-22-23-15-16-29-22/h4-13,19H,2-3,14-16H2,1H3,(H,23,24)/q+1