4-[(2E)-2-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[(2E)-2-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2E)-2-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylidene]hydrazino]benzenesulfonic acid CAS Name: 4-[(2E)-2-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2E)-2-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'E)-N'-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylidene]hydrazino]besylic acid Formula: C17H18N3O3S2+ MolecularWeight: 376.47312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCC=NNC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CC/C=N/NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C17H17N3O3S2/c1-13-20(16-5-2-3-6-17(16)24-13)12-4-11-18-19-14-7-9-15(10-8-14)25(21,22)23/h2-3,5-11,19H,4,12H2,1H3/p+1/b18-11+