2,4-dinitro-6-(phenylmethylsulfanyl)aniline

Systemtic Name: 2,4-dinitro-6-(phenylmethylsulfanyl)aniline Openeye Name: 2-benzylsulfanyl-4,6-dinitro-aniline CAS Name: 2,4-dinitro-6-(phenylmethylthio)aniline IUPAC Name: 2-benzylsulfanyl-4,6-dinitroaniline Traditional Name: [2-(benzylthio)-4,6-dinitro-phenyl]amine Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=CC(=C2N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=CC(=C2N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4S/c14-13-11(16(19)20)6-10(15(17)18)7-12(13)21-8-9-4-2-1-3-5-9/h1-7H,8,14H2