2,4-dinitro-6-[[(2-sulfanylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 2,4-dinitro-6-[[(2-sulfanylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2,4-dinitro-6-[(2-sulfanylanilino)methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(2-mercaptoanilino)methylidene]-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: 2,4-dinitro-6-[(2-sulfanylanilino)methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(2-mercaptoanilino)methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Formula: C13H9N3O5S MolecularWeight: 319.29266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])[N+](=O)[O-])S

Isomeric SMILES

C1=CC=C(C(=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])[N+](=O)[O-])S

InChI

InChI=1S/C13H9N3O5S/c17-13-8(7-14-10-3-1-2-4-12(10)22)5-9(15(18)19)6-11(13)16(20)21/h1-7,14,22H