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

Systemtic Name: 2-[(3-chloranyl-4-ethylsulfanyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole Openeye Name: 2-[(3-chloro-4-ethylsulfanyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole CAS Name: 2-[[3-chloro-4-(ethylthio)phenoxy]methyl]-1-methyl-5-nitroimidazole IUPAC Name: 2-[(3-chloro-4-ethylsulfanylphenoxy)methyl]-1-methyl-5-nitroimidazole Traditional Name: 2-[[3-chloro-4-(ethylthio)phenoxy]methyl]-1-methyl-5-nitro-imidazole Formula: C13H14ClN3O3S MolecularWeight: 327.78656

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)OCC2=NC=C(N2C)[N+](=O)[O-])Cl

Isomeric SMILES

CCSC1=C(C=C(C=C1)OCC2=NC=C(N2C)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H14ClN3O3S/c1-3-21-11-5-4-9(6-10(11)14)20-8-12-15-7-13(16(12)2)17(18)19/h4-7H,3,8H2,1-2H3