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

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)-N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]ethanamide Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)-N-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]acetamide CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)-N-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]acetamide IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)-N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]acetamide Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)-N-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]acetamide Formula: C20H18N6O5S MolecularWeight: 454.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NNC(=O)CN3C(=NC=C3[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC(=O)CN3C(=NC=C3[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O5S/c1-13-3-6-16(7-4-13)32-18-8-5-15(9-17(18)25(28)29)10-22-23-19(27)12-24-14(2)21-11-20(24)26(30)31/h3-11H,12H2,1-2H3,(H,23,27)/b22-10+