2-ethoxy-4-[(E)-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 2-ethoxy-4-[(E)-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-ethoxy-4-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 2-ethoxy-4-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-ethoxy-4-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-ethoxy-4-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]phenolate Formula: C19H20N4O3S MolecularWeight: 384.4521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)CSC2=[N+](C3=CC=CC=C3N2)C)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)CSC2=[N+](C3=CC=CC=C3N2)C)[O-]

InChI

InChI=1S/C19H20N4O3S/c1-3-26-17-10-13(8-9-16(17)24)11-20-22-18(25)12-27-19-21-14-6-4-5-7-15(14)23(19)2/h4-11H,3,12H2,1-2H3,(H2,20,22,24,25)