N-methyl-3-(2,4,6-trinitrophenyl)sulfanyl-aniline

Systemtic Name: N-methyl-3-(2,4,6-trinitrophenyl)sulfanyl-aniline Openeye Name: N-methyl-3-(2,4,6-trinitrophenyl)sulfanyl-aniline CAS Name: N-methyl-3-[(2,4,6-trinitrophenyl)thio]aniline IUPAC Name: N-methyl-3-(2,4,6-trinitrophenyl)sulfanylaniline Traditional Name: methyl-[3-(picrylthio)phenyl]amine Formula: C13H10N4O6S MolecularWeight: 350.3067

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=CC=C1)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC1=CC(=CC=C1)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O6S/c1-14-8-3-2-4-10(5-8)24-13-11(16(20)21)6-9(15(18)19)7-12(13)17(22)23/h2-7,14H,1H3