2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1,3-benzothiazole CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]-1,3-benzothiazole IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]-1,3-benzothiazole Formula: C13H12N4O2S2 MolecularWeight: 320.38998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O2S2/c1-9-14-8-12(17(18)19)16(9)6-7-20-13-15-10-4-2-3-5-11(10)21-13/h2-5,8H,6-7H2,1H3