tert-butyl N-[2-(3-nitroimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]carbamate

Systemtic Name: tert-butyl N-[2-(3-nitroimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]carbamate Openeye Name: tert-butyl N-[2-(3-nitroimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]carbamate CAS Name: N-[2-[(3-nitro-5-imidazo[1,2-a]pyridinyl)thio]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(3-nitroimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]carbamate Traditional Name: N-[2-[(3-nitroimidazo[1,2-a]pyridin-5-yl)thio]ethyl]carbamic acid tert-butyl ester Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSC1=CC=CC2=NC=C(N21)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCSC1=CC=CC2=NC=C(N21)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4S/c1-14(2,3)22-13(19)15-7-8-23-12-6-4-5-10-16-9-11(17(10)12)18(20)21/h4-6,9H,7-8H2,1-3H3,(H,15,19)