N-[2-(2,4,6-trinitrophenyl)sulfanylethyl]aniline

Systemtic Name: N-[2-(2,4,6-trinitrophenyl)sulfanylethyl]aniline Openeye Name: N-[2-(2,4,6-trinitrophenyl)sulfanylethyl]aniline CAS Name: N-[2-[(2,4,6-trinitrophenyl)thio]ethyl]aniline IUPAC Name: N-[2-(2,4,6-trinitrophenyl)sulfanylethyl]aniline Traditional Name: phenyl-[2-(picrylthio)ethyl]amine Formula: C14H12N4O6S MolecularWeight: 364.33328

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O6S/c19-16(20)11-8-12(17(21)22)14(13(9-11)18(23)24)25-7-6-15-10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2