2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C23H16N4O3S2 MolecularWeight: 460.52814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SC4=NC5=C(S4)C=C(C=C5)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SC4=NC5=C(S4)C=C(C=C5)C(=O)O

InChI

InChI=1S/C23H16N4O3S2/c1-30-18-10-6-5-9-16(18)20-25-26-22(27(20)15-7-3-2-4-8-15)32-23-24-17-12-11-14(21(28)29)13-19(17)31-23/h2-13H,1H3,(H,28,29)