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

Systemtic Name: 5-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]aniline Openeye Name: 5-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]aniline CAS Name: 5-methyl-2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]aniline IUPAC Name: 5-methyl-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]aniline Traditional Name: [5-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]phenyl]amine Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCCN2C(=NC=C2[N+](=O)[O-])C)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCCN2C(=NC=C2[N+](=O)[O-])C)N

InChI

InChI=1S/C13H16N4O2S/c1-9-3-4-12(11(14)7-9)20-6-5-16-10(2)15-8-13(16)17(18)19/h3-4,7-8H,5-6,14H2,1-2H3