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

Systemtic Name: (6E)-6-[4-(4-bromophenyl)-3-butylsulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-(4-bromophenyl)-3-butylsulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-(4-bromophenyl)-3-(butylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-(4-bromophenyl)-3-butylsulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-(4-bromophenyl)-3-(butylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NNC(=C2C=CC=CC2=O)N1C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCSC1=NN/C(=C/2\C=CC=CC2=O)/N1C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3OS/c1-2-3-12-24-18-21-20-17(15-6-4-5-7-16(15)23)22(18)14-10-8-13(19)9-11-14/h4-11,20H,2-3,12H2,1H3/b17-15-