[4-[(2,4-dinitrophenyl)amino]phenyl]methanethiol

Systemtic Name: [4-[(2,4-dinitrophenyl)amino]phenyl]methanethiol Openeye Name: [4-(2,4-dinitroanilino)phenyl]methanethiol CAS Name: [4-(2,4-dinitroanilino)phenyl]methanethiol IUPAC Name: [4-(2,4-dinitroanilino)phenyl]methanethiol Traditional Name: [4-(2,4-dinitroanilino)phenyl]methanethiol Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CS)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4S/c17-15(18)11-5-6-12(13(7-11)16(19)20)14-10-3-1-9(8-21)2-4-10/h1-7,14,21H,8H2