3-[[2-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-1-yl]methyl]pyridine; 2-methyl-1,2-oxaziridin-3-one

Systemtic Name: 3-[[2-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-1-yl]methyl]pyridine; 2-methyl-1,2-oxaziridin-3-one Openeye Name: 3-[[4-isopropyl-2-methyl-5-(3-nitrophenyl)sulfanyl-imidazol-1-yl]methyl]pyridine; 2-methyloxaziridin-3-one CAS Name: 3-[[2-methyl-5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-imidazolyl]methyl]pyridine; 2-methyl-3-oxaziridinone IUPAC Name: 3-[[2-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine; 2-methyloxaziridin-3-one Traditional Name: 3-[[4-isopropyl-2-methyl-5-[(3-nitrophenyl)thio]imidazol-1-yl]methyl]pyridine; 2-methyloxaziridin-3-one Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CN=CC=C2)SC3=CC=CC(=C3)[N+](=O)[O-])C(C)C.CN1C(=O)O1

Isomeric SMILES

CC1=NC(=C(N1CC2=CN=CC=C2)SC3=CC=CC(=C3)[N+](=O)[O-])C(C)C.CN1C(=O)O1

InChI

InChI=1S/C19H20N4O2S.C2H3NO2/c1-13(2)18-19(26-17-8-4-7-16(10-17)23(24)25)22(14(3)21-18)12-15-6-5-9-20-11-15;1-3-2(4)5-3/h4-11,13H,12H2,1-3H3;1H3