N-[(Z)-2-(5-chloranyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline

Systemtic Name: N-[(Z)-2-(5-chloranyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline Openeye Name: N-[(Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]aniline CAS Name: N-[(Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline IUPAC Name: N-[(Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline Traditional Name: [(Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-phenyl-amine Formula: C17H16ClN2S+ MolecularWeight: 315.84034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)Cl)C=CNC3=CC=CC=C3

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)Cl)/C=C\NC3=CC=CC=C3

InChI

InChI=1S/C17H15ClN2S/c1-2-20-15-12-13(18)8-9-16(15)21-17(20)10-11-19-14-6-4-3-5-7-14/h3-12H,2H2,1H3/p+1