2-tert-butylsulfanyl-5-nitro-N-pyridin-4-yl-benzamide

Systemtic Name: 2-tert-butylsulfanyl-5-nitro-N-pyridin-4-yl-benzamide Openeye Name: 2-tert-butylsulfanyl-5-nitro-N-(4-pyridyl)benzamide CAS Name: 2-(tert-butylthio)-5-nitro-N-pyridin-4-ylbenzamide IUPAC Name: 2-tert-butylsulfanyl-5-nitro-N-pyridin-4-ylbenzamide Traditional Name: 2-(tert-butylthio)-5-nitro-N-(4-pyridyl)benzamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)SC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=NC=C2

InChI

InChI=1S/C16H17N3O3S/c1-16(2,3)23-14-5-4-12(19(21)22)10-13(14)15(20)18-11-6-8-17-9-7-11/h4-10H,1-3H3,(H,17,18,20)