tert-butyl N-[5-[(1-methyl-2H-pyridin-6-yl)sulfanyl]-2-nitro-phenyl]carbamate

Systemtic Name: tert-butyl N-[5-[(1-methyl-2H-pyridin-6-yl)sulfanyl]-2-nitro-phenyl]carbamate Openeye Name: tert-butyl N-[5-[(1-methyl-2H-pyridin-6-yl)sulfanyl]-2-nitro-phenyl]carbamate CAS Name: N-[5-[(1-methyl-2H-pyridin-6-yl)thio]-2-nitrophenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[(1-methyl-2H-pyridin-6-yl)sulfanyl]-2-nitrophenyl]carbamate Traditional Name: N-[5-[(1-methyl-2H-pyridin-6-yl)thio]-2-nitro-phenyl]carbamic acid tert-butyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)SC2=CC=CCN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)SC2=CC=CCN2C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-17(2,3)24-16(21)18-13-11-12(8-9-14(13)20(22)23)25-15-7-5-6-10-19(15)4/h5-9,11H,10H2,1-4H3,(H,18,21)