azepan-1-yl-[3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: azepan-1-yl-[3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]methanone Openeye Name: azepan-1-yl-[3-nitro-4-(4-pyridylmethylsulfanyl)phenyl]methanone CAS Name: 1-azepanyl-[3-nitro-4-(pyridin-4-ylmethylthio)phenyl]methanone IUPAC Name: azepan-1-yl-[3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]methanone Traditional Name: azepan-1-yl-[3-nitro-4-(4-pyridylmethylthio)phenyl]methanone Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3S/c23-19(21-11-3-1-2-4-12-21)16-5-6-18(17(13-16)22(24)25)26-14-15-7-9-20-10-8-15/h5-10,13H,1-4,11-12,14H2