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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[4-(4-bromophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[4-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[4-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[4-(4-bromophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C20H11BrN4O2S3 MolecularWeight: 515.42594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SC4=NC5=C(S4)C=C(C=C5)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SC4=NC5=C(S4)C=C(C=C5)C(=O)O

InChI

InChI=1S/C20H11BrN4O2S3/c21-12-4-6-13(7-5-12)25-17(15-2-1-9-28-15)23-24-19(25)30-20-22-14-8-3-11(18(26)27)10-16(14)29-20/h1-10H,(H,26,27)