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

Systemtic Name: 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[4-phenyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C21H13N5O2S2 MolecularWeight: 431.49022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)C(=O)O)C5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)C(=O)O)C5=CC=CC=N5

InChI

InChI=1S/C21H13N5O2S2/c27-19(28)13-9-10-15-17(12-13)29-21(23-15)30-20-25-24-18(16-8-4-5-11-22-16)26(20)14-6-2-1-3-7-14/h1-12H,(H,27,28)