3,5-bis(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-benzoic acid

Systemtic Name: 3,5-bis(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-benzoic acid Openeye Name: 3,5-bis(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-benzoic acid CAS Name: 3,5-bis[(1,3-benzothiazol-2-ylthio)methyl]-4-methylbenzoic acid IUPAC Name: 3,5-bis(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methylbenzoic acid Traditional Name: 3,5-bis[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-benzoic acid Formula: C24H18N2O2S4 MolecularWeight: 494.67192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1CSC2=NC3=CC=CC=C3S2)C(=O)O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=C(C=C1CSC2=NC3=CC=CC=C3S2)C(=O)O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H18N2O2S4/c1-14-16(12-29-23-25-18-6-2-4-8-20(18)31-23)10-15(22(27)28)11-17(14)13-30-24-26-19-7-3-5-9-21(19)32-24/h2-11H,12-13H2,1H3,(H,27,28)