N-[2-(2,4-dinitrophenyl)sulfanylethyl]aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NCCSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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