2-(1,3-benzothiazol-2-yl)-3-(1-ethyl-2-methyl-3-phenyl-benzimidazol-1-ium-5-yl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(1-ethyl-2-methyl-3-phenyl-benzimidazol-1-ium-5-yl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(1-ethyl-2-methyl-3-phenyl-benzimidazol-1-ium-5-yl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(1-ethyl-2-methyl-3-phenyl-5-benzimidazol-1-iumyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(1-ethyl-2-methyl-3-phenylbenzimidazol-1-ium-5-yl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(1-ethyl-2-methyl-3-phenyl-benzimidazol-1-ium-5-yl)acrylonitrile Formula: C26H21N4S+ MolecularWeight: 421.53674

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C

InChI

InChI=1S/C26H21N4S/c1-3-29-18(2)30(21-9-5-4-6-10-21)24-16-19(13-14-23(24)29)15-20(17-27)26-28-22-11-7-8-12-25(22)31-26/h4-16H,3H2,1-2H3/q+1