2-methylsulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-phenyl-imidazole-4-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-phenyl-imidazole-4-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-(methylthio)-3-phenyl-4-imidazolecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-(methylthio)-3-phenyl-imidazole-4-carboxamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H16N4O4S/c1-27-18-20-11-15(21(18)13-5-3-2-4-6-13)17(24)19-10-12-9-14(22(25)26)7-8-16(12)23/h2-9,11,23H,10H2,1H3,(H,19,24)