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

Systemtic Name: 2-[(4-ethylsulfanyl-3-methyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole Openeye Name: 2-[(4-ethylsulfanyl-3-methyl-phenoxy)methyl]-1-methyl-5-nitro-imidazole CAS Name: 2-[[4-(ethylthio)-3-methylphenoxy]methyl]-1-methyl-5-nitroimidazole IUPAC Name: 2-[(4-ethylsulfanyl-3-methylphenoxy)methyl]-1-methyl-5-nitroimidazole Traditional Name: 2-[[4-(ethylthio)-3-methyl-phenoxy]methyl]-1-methyl-5-nitro-imidazole Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-4-21-12-6-5-11(7-10(12)2)20-9-13-15-8-14(16(13)3)17(18)19/h5-8H,4,9H2,1-3H3