(4Z)-4-[4-(4-bromanyl-2-methyl-phenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[4-(4-bromanyl-2-methyl-phenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[4-(4-bromo-2-methyl-phenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[4-(4-bromo-2-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[4-(4-bromo-2-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[4-(4-bromo-2-methyl-phenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C15H12BrN3O2S MolecularWeight: 378.24368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=C3C=CC(=O)C=C3O)NNC2=S

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2/C(=C/3\C=CC(=O)C=C3O)/NNC2=S

InChI

InChI=1S/C15H12BrN3O2S/c1-8-6-9(16)2-5-12(8)19-14(17-18-15(19)22)11-4-3-10(20)7-13(11)21/h2-7,17,21H,1H3,(H,18,22)/b14-11+