5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[2-[(4-nitrophenyl)amino]ethyl]furan-2-carboxamide

Systemtic Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[2-[(4-nitrophenyl)amino]ethyl]furan-2-carboxamide Openeye Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[2-(4-nitroanilino)ethyl]furan-2-carboxamide CAS Name: 5-[[(1-methyl-2-imidazolyl)thio]methyl]-N-[2-(4-nitroanilino)ethyl]-2-furancarboxamide IUPAC Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[2-(4-nitroanilino)ethyl]furan-2-carboxamide Traditional Name: 5-[[(1-methylimidazol-2-yl)thio]methyl]-N-[2-(4-nitroanilino)ethyl]-2-furamide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC=C(O2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCC2=CC=C(O2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S/c1-22-11-10-21-18(22)28-12-15-6-7-16(27-15)17(24)20-9-8-19-13-2-4-14(5-3-13)23(25)26/h2-7,10-11,19H,8-9,12H2,1H3,(H,20,24)