(6E)-6-[4-(4-bromophenyl)-5-propyl-1-sulfanyl-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[4-(4-bromophenyl)-5-propyl-1-sulfanyl-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-(4-bromophenyl)-5-propyl-1-sulfanyl-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-(4-bromophenyl)-1-mercapto-5-propyl-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-(4-bromophenyl)-5-propyl-1-sulfanyl-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-(4-bromophenyl)-1-mercapto-5-propyl-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C17H18BrN3OS MolecularWeight: 392.31332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1N(C(=C2C=CC=CC2=O)NN1S)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCC1N(/C(=C\2/C=CC=CC2=O)/NN1S)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrN3OS/c1-2-5-16-20(13-10-8-12(18)9-11-13)17(19-21(16)23)14-6-3-4-7-15(14)22/h3-4,6-11,16,19,23H,2,5H2,1H3/b17-14-