2-[4-(5-azanyl-6-methyl-naphthalen-2-yl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-[4-(5-azanyl-6-methyl-naphthalen-2-yl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-[4-(5-amino-6-methyl-2-naphthyl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-[4-(5-amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-[4-(5-amino-6-methylnaphthalen-2-yl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-[4-(5-amino-6-methyl-2-naphthyl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C25H20N2O3S2 MolecularWeight: 460.5679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)C4=NC5=C(S4)C(=C(C=C5)C)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)C4=NC5=C(S4)C(=C(C=C5)C)S(=O)(=O)O)N

InChI

InChI=1S/C25H20N2O3S2/c1-14-3-5-19-13-18(10-11-20(19)22(14)26)16-6-8-17(9-7-16)25-27-21-12-4-15(2)24(23(21)31-25)32(28,29)30/h3-13H,26H2,1-2H3,(H,28,29,30)