3-nitro-5-(3-phenylpropylsulfanyl)aniline

Systemtic Name: 3-nitro-5-(3-phenylpropylsulfanyl)aniline Openeye Name: 3-nitro-5-(3-phenylpropylsulfanyl)aniline CAS Name: 3-nitro-5-(3-phenylpropylthio)aniline IUPAC Name: 3-nitro-5-(3-phenylpropylsulfanyl)aniline Traditional Name: [3-nitro-5-(3-phenylpropylthio)phenyl]amine Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=CC(=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=CC(=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C15H16N2O2S/c16-13-9-14(17(18)19)11-15(10-13)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8,16H2