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

Systemtic Name: 2-[[4-(4-carboxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-carboxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-carboxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-carboxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-carboxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]thiazole-5-carboxylic acid Formula: C17H10N4O4S3 MolecularWeight: 430.4807

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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=NC=C(S4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H10N4O4S3/c22-14(23)9-3-5-10(6-4-9)21-13(11-2-1-7-26-11)19-20-16(21)28-17-18-8-12(27-17)15(24)25/h1-8H,(H,22,23)(H,24,25)