2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[(3-tert-butyl-1,2,4-triazol-1-yl)thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[(3-tert-butyl-1,2,4-triazol-1-yl)thio]-1,3-benzothiazole-6-carboxylic acid Formula: C14H14N4O2S2 MolecularWeight: 334.41656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C14H14N4O2S2/c1-14(2,3)12-15-7-18(17-12)22-13-16-9-5-4-8(11(19)20)6-10(9)21-13/h4-7H,1-3H3,(H,19,20)