1-methyl-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-imidazole

Systemtic Name: 1-methyl-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-imidazole Openeye Name: 1-methyl-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-imidazole CAS Name: 1-methyl-2-[[2-nitro-5-(1-pyrrolidinyl)phenyl]thio]imidazole IUPAC Name: 1-methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)sulfanylimidazole Traditional Name: 1-methyl-2-[(2-nitro-5-pyrrolidino-phenyl)thio]imidazole Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O2S/c1-16-9-6-15-14(16)21-13-10-11(17-7-2-3-8-17)4-5-12(13)18(19)20/h4-6,9-10H,2-3,7-8H2,1H3