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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=C(C(=C2)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=C(C(=C2)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

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