1-(4-bromophenyl)-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3OS/c1-14-21-22-19(23(14)17-6-3-2-4-7-17)25-13-5-8-18(24)15-9-11-16(20)12-10-15/h2-4,6-7,9-12H,5,8,13H2,1H3