N-(3-methylsulfanylphenyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(3-methylsulfanylphenyl)-2,4,6-trinitro-aniline Openeye Name: N-(3-methylsulfanylphenyl)-2,4,6-trinitro-aniline CAS Name: N-[3-(methylthio)phenyl]-2,4,6-trinitroaniline IUPAC Name: N-(3-methylsulfanylphenyl)-2,4,6-trinitroaniline Traditional Name: [3-(methylthio)phenyl]-picryl-amine Formula: C13H10N4O6S MolecularWeight: 350.3067

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

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