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azepan-1-yl-[2-(4-nitrophenyl)sulfanylphenyl]methanone

azepan-1-yl-[2-(4-nitrophenyl)sulfanylphenyl]methanone

Systemtic Name:azepan-1-yl-[2-(4-nitrophenyl)sulfanylphenyl]methanone
Openeye Name:azepan-1-yl-[2-(4-nitrophenyl)sulfanylphenyl]methanone
CAS Name:1-azepanyl-[2-[(4-nitrophenyl)thio]phenyl]methanone
IUPAC Name:azepan-1-yl-[2-(4-nitrophenyl)sulfanylphenyl]methanone
Traditional Name:azepan-1-yl-[2-[(4-nitrophenyl)thio]phenyl]methanone
Formula: C19H20N2O3S
MolecularWeight: 356.4387
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C19H20N2O3S/c22-19(20-13-5-1-2-6-14-20)17-7-3-4-8-18(17)25-16-11-9-15(10-12-16)21(23)24/h3-4,7-12H,1-2,5-6,13-14H2


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