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

Systemtic Name: 3-chloranyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]aniline Openeye Name: 3-chloro-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]aniline CAS Name: 3-chloro-2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]aniline IUPAC Name: 3-chloro-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]aniline Traditional Name: [3-chloro-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]phenyl]amine Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC2=C(C=CC=C2Cl)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC2=C(C=CC=C2Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN4O2S/c1-8-15-7-11(17(18)19)16(8)5-6-20-12-9(13)3-2-4-10(12)14/h2-4,7H,5-6,14H2,1H3