N-(4-methylpentan-2-yl)-4-nitro-1,3-benzothiazol-5-amine

Systemtic Name: N-(4-methylpentan-2-yl)-4-nitro-1,3-benzothiazol-5-amine Openeye Name: N-(1,3-dimethylbutyl)-4-nitro-1,3-benzothiazol-5-amine CAS Name: N-(4-methylpentan-2-yl)-4-nitro-1,3-benzothiazol-5-amine IUPAC Name: N-(4-methylpentan-2-yl)-4-nitro-1,3-benzothiazol-5-amine Traditional Name: 1,3-dimethylbutyl-(4-nitro-1,3-benzothiazol-5-yl)amine Formula: C13H17N3O2S MolecularWeight: 279.35798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C)NC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O2S/c1-8(2)6-9(3)15-10-4-5-11-12(14-7-19-11)13(10)16(17)18/h4-5,7-9,15H,6H2,1-3H3