2-[(4-ethylsulfinyl-3-methyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole

Systemtic Name: 2-[(4-ethylsulfinyl-3-methyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole Openeye Name: 2-[(4-ethylsulfinyl-3-methyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole CAS Name: 2-[(4-ethylsulfinyl-3-methylphenoxy)methyl]-1-methyl-5-nitroimidazole IUPAC Name: 2-[(4-ethylsulfinyl-3-methylphenoxy)methyl]-1-methyl-5-nitroimidazole Traditional Name: 2-[(4-ethylsulfinyl-3-methyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=C(C=C(C=C1)OCC2=NC=C(N2C)[N+](=O)[O-])C

Isomeric SMILES

CCS(=O)C1=C(C=C(C=C1)OCC2=NC=C(N2C)[N+](=O)[O-])C

InChI

InChI=1S/C14H17N3O4S/c1-4-22(20)12-6-5-11(7-10(12)2)21-9-13-15-8-14(16(13)3)17(18)19/h5-8H,4,9H2,1-3H3