N-phenyl-2-(2,4,6-trinitrophenyl)sulfanyl-aniline

Systemtic Name: N-phenyl-2-(2,4,6-trinitrophenyl)sulfanyl-aniline Openeye Name: N-phenyl-2-(2,4,6-trinitrophenyl)sulfanyl-aniline CAS Name: N-phenyl-2-[(2,4,6-trinitrophenyl)thio]aniline IUPAC Name: N-phenyl-2-(2,4,6-trinitrophenyl)sulfanylaniline Traditional Name: phenyl-[2-(picrylthio)phenyl]amine Formula: C18H12N4O6S MolecularWeight: 412.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=CC=C2SC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2SC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O6S/c23-20(24)13-10-15(21(25)26)18(16(11-13)22(27)28)29-17-9-5-4-8-14(17)19-12-6-2-1-3-7-12/h1-11,19H