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

Systemtic Name: 2-[[4-(4-carboxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[4-(4-carboxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[4-(4-carboxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[4-(4-carboxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[4-(4-carboxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C21H12N4O4S3 MolecularWeight: 480.53938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12N4O4S3/c26-18(27)11-3-6-13(7-4-11)25-17(15-2-1-9-30-15)23-24-20(25)32-21-22-14-8-5-12(19(28)29)10-16(14)31-21/h1-10H,(H,26,27)(H,28,29)