N-(4-tert-butylphenyl)-6-(3-chloranylpyridin-2-yl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-(4-tert-butylphenyl)-6-(3-chloranylpyridin-2-yl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(4-tert-butylphenyl)-6-(3-chloro-2-pyridyl)-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-(4-tert-butylphenyl)-6-(3-chloro-2-pyridinyl)-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(4-tert-butylphenyl)-6-(3-chloropyridin-2-yl)-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (4-tert-butylphenyl)-[6-(3-chloro-2-pyridyl)-1,1-diketo-1,2-benzothiazol-3-yl]amine Formula: C22H20ClN3O2S MolecularWeight: 425.9311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)C4=C(C=CC=N4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)C4=C(C=CC=N4)Cl

InChI

InChI=1S/C22H20ClN3O2S/c1-22(2,3)15-7-9-16(10-8-15)25-21-17-11-6-14(13-19(17)29(27,28)26-21)20-18(23)5-4-12-24-20/h4-13H,1-3H3,(H,25,26)