1-(4-bromophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-bromophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-bromophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H16BrN3O2S/c1-11(16(23)12-3-7-14(19)8-4-12)25-18-20-17(21-22-18)13-5-9-15(24-2)10-6-13/h3-11H,1-2H3,(H,20,21,22)