3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-[(4-nitrophenyl)sulfanylmethyl]-1,2-oxazolidine

Systemtic Name: 3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-[(4-nitrophenyl)sulfanylmethyl]-1,2-oxazolidine Openeye Name: 3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-[(4-nitrophenyl)sulfanylmethyl]isoxazolidine CAS Name: 3-(4-chlorophenyl)-3-(1-imidazolylmethyl)-2-methyl-5-[[(4-nitrophenyl)thio]methyl]isoxazolidine IUPAC Name: 3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-[(4-nitrophenyl)sulfanylmethyl]-1,2-oxazolidine Traditional Name: 3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-[[(4-nitrophenyl)thio]methyl]isoxazolidine Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(O1)CSC2=CC=C(C=C2)[N+](=O)[O-])(CN3C=CN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(CC(O1)CSC2=CC=C(C=C2)[N+](=O)[O-])(CN3C=CN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O3S/c1-24-21(14-25-11-10-23-15-25,16-2-4-17(22)5-3-16)12-19(29-24)13-30-20-8-6-18(7-9-20)26(27)28/h2-11,15,19H,12-14H2,1H3