4-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(6-amino-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(6-amino-1,3-benzothiazol-2-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(6-amino-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(6-amino-1,3-benzothiazol-2-yl)thio]methyl]benzoic acid Formula: C15H12N2O2S2 MolecularWeight: 316.39798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)N)C(=O)O

InChI

InChI=1S/C15H12N2O2S2/c16-11-5-6-12-13(7-11)21-15(17-12)20-8-9-1-3-10(4-2-9)14(18)19/h1-7H,8,16H2,(H,18,19)