azanium 2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-5-sulfonate

Systemtic Name: azanium 2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-5-sulfonate Openeye Name: ammonium 2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-5-sulfonate CAS Name: ammonium 2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-5-sulfonate IUPAC Name: azanium 2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-5-sulfonate Traditional Name: ammonium 2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-5-sulfonate Formula: C21H18N4O3S3 MolecularWeight: 470.58762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)[O-])N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)N.[NH4+]

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)[O-])N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)N.[NH4+]

InChI

InChI=1S/C21H15N3O3S3.H3N/c1-11-8-17-16(10-19(11)30(25,26)27)24-21(28-17)13-4-7-15-18(9-13)29-20(23-15)12-2-5-14(22)6-3-12;/h2-10H,22H2,1H3,(H,25,26,27);1H3