4-[3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[(4-bromophenyl)methylthio]-4-ethyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[(4-bromobenzyl)thio]-4-ethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3OS/c1-2-21-16(13-5-9-15(22)10-6-13)19-20-17(21)23-11-12-3-7-14(18)8-4-12/h3-10,19H,2,11H2,1H3