4-[(2Z)-2-[1-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentan-3-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[(2Z)-2-[1-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentan-3-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2Z)-2-[1-ethyl-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylidene]hydrazino]benzenesulfonic acid CAS Name: 4-[(2Z)-2-[1-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentan-3-ylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2Z)-2-[1-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentan-3-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'Z)-N'-[1-ethyl-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylidene]hydrazino]besylic acid Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=CC=C(C=C1)S(=O)(=O)O)CC[N+]2=C(SC3=CC=CC=C32)C

Isomeric SMILES

CC/C(=N/NC1=CC=C(C=C1)S(=O)(=O)O)/CC[N+]2=C(SC3=CC=CC=C32)C

InChI

InChI=1S/C19H21N3O3S2/c1-3-15(20-21-16-8-10-17(11-9-16)27(23,24)25)12-13-22-14(2)26-19-7-5-4-6-18(19)22/h4-11,21H,3,12-13H2,1-2H3/p+1/b20-15-