tert-butyl N-[4-(2-azanyl-3-nitro-pyridin-4-yl)sulfanylphenyl]carbamate

Systemtic Name: tert-butyl N-[4-(2-azanyl-3-nitro-pyridin-4-yl)sulfanylphenyl]carbamate Openeye Name: tert-butyl N-[4-[(2-amino-3-nitro-4-pyridyl)sulfanyl]phenyl]carbamate CAS Name: N-[4-[(2-amino-3-nitro-4-pyridinyl)thio]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(2-amino-3-nitropyridin-4-yl)sulfanylphenyl]carbamate Traditional Name: N-[4-[(2-amino-3-nitro-4-pyridyl)thio]phenyl]carbamic acid tert-butyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)SC2=C(C(=NC=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)SC2=C(C(=NC=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-16(2,3)24-15(21)19-10-4-6-11(7-5-10)25-12-8-9-18-14(17)13(12)20(22)23/h4-9H,1-3H3,(H2,17,18)(H,19,21)