azepan-1-yl-(4-nitrophenyl)methanethione

Systemtic Name: azepan-1-yl-(4-nitrophenyl)methanethione Openeye Name: azepan-1-yl-(4-nitrophenyl)methanethione CAS Name: 1-azepanyl-(4-nitrophenyl)methanethione IUPAC Name: azepan-1-yl-(4-nitrophenyl)methanethione Traditional Name: azepan-1-yl-(4-nitrophenyl)methanethione Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2S/c16-15(17)12-7-5-11(6-8-12)13(18)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10H2