2,4-dinitro-6-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 2,4-dinitro-6-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2,4-dinitro-6-[[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2,4-dinitro-6-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2,4-dinitro-6-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2,4-dinitro-6-[[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C15H10N6O5S MolecularWeight: 386.3421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=C(C=C(C3=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=C(C=C(C3=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N6O5S/c22-13-10(6-11(20(23)24)7-12(13)21(25)26)8-16-19-14(17-18-15(19)27)9-4-2-1-3-5-9/h1-8,16H,(H,18,27)