6-[4-(4-bromanyl-2-chloranyl-phenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(4-bromanyl-2-chloranyl-phenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(4-bromo-2-chloro-phenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(4-bromo-2-chlorophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(4-bromo-2-chlorophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(4-bromo-2-chloro-phenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C14H9BrClN3OS MolecularWeight: 382.66276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2NNC(=S)N2C3=C(C=C(C=C3)Br)Cl)C(=O)C=C1

Isomeric SMILES

C1=CC(=C2NNC(=S)N2C3=C(C=C(C=C3)Br)Cl)C(=O)C=C1

InChI

InChI=1S/C14H9BrClN3OS/c15-8-5-6-11(10(16)7-8)19-13(17-18-14(19)21)9-3-1-2-4-12(9)20/h1-7,17H,(H,18,21)