4-[3-[(5-bromanyl-4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 4-[3-[(5-bromanyl-4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-(5-bromo-4-tert-butyl-thiazol-2-yl)sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-[(5-bromo-4-tert-butyl-2-thiazolyl)thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-[(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-[(5-bromo-4-tert-butyl-thiazol-2-yl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]benzoic acid Formula: C20H17BrN4O2S3 MolecularWeight: 521.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(SC(=N1)SC2=NN=C(N2C3=CC=C(C=C3)C(=O)O)C4=CC=CS4)Br

Isomeric SMILES

CC(C)(C)C1=C(SC(=N1)SC2=NN=C(N2C3=CC=C(C=C3)C(=O)O)C4=CC=CS4)Br

InChI

InChI=1S/C20H17BrN4O2S3/c1-20(2,3)14-15(21)29-19(22-14)30-18-24-23-16(13-5-4-10-28-13)25(18)12-8-6-11(7-9-12)17(26)27/h4-10H,1-3H3,(H,26,27)