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

Systemtic Name: 2-bromanyl-4-nitro-6-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2-bromo-4-nitro-6-[[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-bromo-4-nitro-6-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-bromo-4-nitro-6-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-bromo-4-nitro-6-[[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C15H10BrN5O3S MolecularWeight: 420.2406

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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)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H10BrN5O3S/c16-12-7-11(21(23)24)6-10(13(12)22)8-17-20-14(18-19-15(20)25)9-4-2-1-3-5-9/h1-8,17H,(H,19,25)