N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamide

Systemtic Name: N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamide Openeye Name: N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methyleneamino]-2-(2-methyl-5-nitro-imidazol-1-yl)acetamide CAS Name: N-[(E)-[4-(2-hydroxyethylthio)-3-nitrophenyl]methylideneamino]-2-(2-methyl-5-nitro-1-imidazolyl)acetamide IUPAC Name: N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide Traditional Name: N-[(E)-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]amino]-2-(2-methyl-5-nitro-imidazol-1-yl)acetamide Formula: C15H16N6O6S MolecularWeight: 408.38914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(=O)NN=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(=O)N/N=C/C2=CC(=C(C=C2)SCCO)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O6S/c1-10-16-8-15(21(26)27)19(10)9-14(23)18-17-7-11-2-3-13(28-5-4-22)12(6-11)20(24)25/h2-3,6-8,22H,4-5,9H2,1H3,(H,18,23)/b17-7+