4-methyl-2-[(Z)-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoylhydrazinylidene]methyl]-6-nitro-phenolate

Systemtic Name: 4-methyl-2-[(Z)-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoylhydrazinylidene]methyl]-6-nitro-phenolate Openeye Name: 4-methyl-2-[(Z)-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]hydrazono]methyl]-6-nitro-phenolate CAS Name: 4-methyl-2-[(Z)-[[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 4-methyl-2-[(Z)-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-nitrophenolate Traditional Name: 4-methyl-2-[(Z)-[[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]hydrazono]methyl]-6-nitro-phenolate Formula: C18H16N5O4S- MolecularWeight: 398.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3N2C)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=N\NC(=O)CSC2=NC3=CC=CC=C3N2C)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4S/c1-11-7-12(17(25)15(8-11)23(26)27)9-19-21-16(24)10-28-18-20-13-5-3-4-6-14(13)22(18)2/h3-9,25H,10H2,1-2H3,(H,21,24)/p-1/b19-9-