(2R)-1-chloranyl-3-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-propan-2-ol

Systemtic Name: (2R)-1-chloranyl-3-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-propan-2-ol Openeye Name: (2R)-1-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-3-chloro-propan-2-ol CAS Name: (2R)-1-chloro-3-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-2-propanol IUPAC Name: (2R)-1-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-3-chloropropan-2-ol Traditional Name: (2R)-1-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]-3-chloro-propan-2-ol Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SC[C@H](CCl)O)[N+](=O)[O-]

InChI

InChI=1S/C14H16ClN3O3S/c1-10-16-13(18(20)21)14(22-9-12(19)7-15)17(10)8-11-5-3-2-4-6-11/h2-6,12,19H,7-9H2,1H3/t12-/m0/s1