N-[3-(2-diethylaminoethylsulfanyl)phenyl]-2-nitro-propanamide

Systemtic Name: N-[3-(2-diethylaminoethylsulfanyl)phenyl]-2-nitro-propanamide Openeye Name: N-[3-(2-diethylaminoethylsulfanyl)phenyl]-2-nitro-propanamide CAS Name: N-[3-(2-diethylaminoethylthio)phenyl]-2-nitropropanamide IUPAC Name: N-[3-(2-diethylaminoethylsulfanyl)phenyl]-2-nitropropanamide Traditional Name: N-[3-(2-diethylaminoethylthio)phenyl]-2-nitro-propionamide Formula: C15H23N3O3S MolecularWeight: 325.42642

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=CC=CC(=C1)NC(=O)C(C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCSC1=CC=CC(=C1)NC(=O)C(C)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O3S/c1-4-17(5-2)9-10-22-14-8-6-7-13(11-14)16-15(19)12(3)18(20)21/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,16,19)