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

Systemtic Name: 4-bromanyl-6-[4-methyl-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[4-methyl-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[4-methyl-3-(2-phenoxyethylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[4-methyl-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[4-methyl-3-(2-phenoxyethylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C17H16BrN3O2S MolecularWeight: 406.29684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C(C=CC2=O)Br)NN=C1SCCOC3=CC=CC=C3

Isomeric SMILES

CN1C(=C2C=C(C=CC2=O)Br)NN=C1SCCOC3=CC=CC=C3

InChI

InChI=1S/C17H16BrN3O2S/c1-21-16(14-11-12(18)7-8-15(14)22)19-20-17(21)24-10-9-23-13-5-3-2-4-6-13/h2-8,11,19H,9-10H2,1H3