1,3-benzothiazol-2-ylmethyl-[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(5-chloro-2-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C17H16ClN4O3S+ MolecularWeight: 391.85194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O3S/c1-21(10-17-20-12-4-2-3-5-15(12)26-17)9-16(23)19-13-8-11(18)6-7-14(13)22(24)25/h2-8H,9-10H2,1H3,(H,19,23)/p+1