N1-[(E)-(3-methyl-3H-1,3-benzothiazol-3-ium-2-ylidene)amino]naphthalene-1,2-diimine iodide

Systemtic Name: N1-[(E)-(3-methyl-3H-1,3-benzothiazol-3-ium-2-ylidene)amino]naphthalene-1,2-diimine iodide Openeye Name: N1-[(E)-(3-methyl-3H-1,3-benzothiazol-3-ium-2-ylidene)amino]naphthalene-1,2-diimine iodide CAS Name: N1-[(E)-(3-methyl-3H-1,3-benzothiazol-3-ium-2-ylidene)amino]naphthalene-1,2-diimine iodide IUPAC Name: 1-N-[(E)-(3-methyl-3H-1,3-benzothiazol-3-ium-2-ylidene)amino]naphthalene-1,2-diimine iodide Traditional Name: (E)-(2-imino-1-naphthylidene)-[(E)-(3-methyl-3H-1,3-benzothiazol-3-ium-2-ylidene)amino]amine iodide Formula: C18H15IN4S MolecularWeight: 446.30797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2=CC=CC=C2SC1=NN=C3C(=N)C=CC4=CC=CC=C43.[I-]

Isomeric SMILES

C[NH+]\1C2=CC=CC=C2S/C1=N/N=C\3/C(=N)C=CC4=CC=CC=C43.[I-]

InChI

InChI=1S/C18H14N4S.HI/c1-22-15-8-4-5-9-16(15)23-18(22)21-20-17-13-7-3-2-6-12(13)10-11-14(17)19;/h2-11,19H,1H3;1H/b19-14?,20-17+,21-18+;