2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C24H20N4O2S3 MolecularWeight: 492.6362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)C(=O)O)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C24H20N4O2S3/c1-24(2,3)15-7-9-16(10-8-15)28-20(18-5-4-12-31-18)26-27-22(28)33-23-25-17-11-6-14(21(29)30)13-19(17)32-23/h4-13H,1-3H3,(H,29,30)