2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N'-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N'-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide Openeye Name: N'-[(5-allyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetohydrazide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]acetohydrazide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N'-[(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide Traditional Name: N'-[(5-allyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetohydrazide Formula: C20H21N4O2S+ MolecularWeight: 381.47134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NNC=C3C=CC=C(C3=O)CC=C

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NNC=C3C=CC=C(C3=O)CC=C

InChI

InChI=1S/C20H20N4O2S/c1-3-7-14-8-6-9-15(19(14)26)12-21-23-18(25)13-27-20-22-16-10-4-5-11-17(16)24(20)2/h3-6,8-12H,1,7,13H2,2H3,(H2,21,23,25,26)/p+1