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

Systemtic Name: 2-[(4-pyridin-3-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[4-(3-pyridyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[4-(3-pyridinyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[(4-pyridin-3-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[4-(3-pyridyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C19H11N5O2S3 MolecularWeight: 437.51794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)C(=O)O)C5=CC=CS5

Isomeric SMILES

C1=CC(=CN=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C19H11N5O2S3/c25-17(26)11-5-6-13-15(9-11)28-19(21-13)29-18-23-22-16(14-4-2-8-27-14)24(18)12-3-1-7-20-10-12/h1-10H,(H,25,26)