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

Systemtic Name: 2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-phenoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-phenoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]thiazole-5-carboxylic acid Formula: C22H14N4O3S3 MolecularWeight: 478.56656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=NN=C3SC4=NC=C(S4)C(=O)O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=NN=C3SC4=NC=C(S4)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C22H14N4O3S3/c27-20(28)18-13-23-22(31-18)32-21-25-24-19(17-7-4-12-30-17)26(21)14-8-10-16(11-9-14)29-15-5-2-1-3-6-15/h1-13H,(H,27,28)