4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]aniline

Systemtic Name: 4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]aniline Openeye Name: 4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]aniline CAS Name: 4-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]aniline IUPAC Name: 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]aniline Traditional Name: [4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]phenyl]amine Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC2=CC=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC2=CC=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O2S/c1-9-14-8-12(16(17)18)15(9)6-7-19-11-4-2-10(13)3-5-11/h2-5,8H,6-7,13H2,1H3