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2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanol

2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanol

Systemtic Name:2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanol
Openeye Name:2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanylethanol
CAS Name:2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]ethanol
IUPAC Name:2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylethanol
Traditional Name:2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]ethanol
Formula: C13H15N3O3S
MolecularWeight: 293.3415
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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)SCCO)[N+](=O)[O-]


Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SCCO)[N+](=O)[O-]


InChI

InChI=1S/C13H15N3O3S/c1-10-14-12(16(18)19)13(20-8-7-17)15(10)9-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3


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