6-[3-[(4-bromophenyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[3-[(4-bromophenyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[3-[(4-bromophenyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[3-[(4-bromophenyl)methylthio]-4-methyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-[(4-bromophenyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-[(4-bromobenzyl)thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C16H14BrN3OS MolecularWeight: 376.27086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC=CC2=O)NN=C1SCC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=C2C=CC=CC2=O)NN=C1SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN3OS/c1-20-15(13-4-2-3-5-14(13)21)18-19-16(20)22-10-11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3