5-nitro-2-propan-2-ylsulfanyl-N-pyridin-4-yl-benzamide

Systemtic Name: 5-nitro-2-propan-2-ylsulfanyl-N-pyridin-4-yl-benzamide Openeye Name: 2-isopropylsulfanyl-5-nitro-N-(4-pyridyl)benzamide CAS Name: 5-nitro-2-(propan-2-ylthio)-N-pyridin-4-ylbenzamide IUPAC Name: 5-nitro-2-propan-2-ylsulfanyl-N-pyridin-4-ylbenzamide Traditional Name: 2-(isopropylthio)-5-nitro-N-(4-pyridyl)benzamide Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3S/c1-10(2)22-14-4-3-12(18(20)21)9-13(14)15(19)17-11-5-7-16-8-6-11/h3-10H,1-2H3,(H,16,17,19)