2,4-dinitro-N-(2-phenylsulfanylethyl)aniline

Systemtic Name: 2,4-dinitro-N-(2-phenylsulfanylethyl)aniline Openeye Name: 2,4-dinitro-N-(2-phenylsulfanylethyl)aniline CAS Name: 2,4-dinitro-N-[2-(phenylthio)ethyl]aniline IUPAC Name: 2,4-dinitro-N-(2-phenylsulfanylethyl)aniline Traditional Name: (2,4-dinitrophenyl)-[2-(phenylthio)ethyl]amine Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4S/c18-16(19)11-6-7-13(14(10-11)17(20)21)15-8-9-22-12-4-2-1-3-5-12/h1-7,10,15H,8-9H2