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

Systemtic Name: 1-[4-(3-bromophenyl)carbonyl-3-methyl-piperazin-1-yl]-4-[[4-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-[4-(3-bromobenzoyl)-3-methyl-piperazin-1-yl]-4-[[4-(o-tolyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[(3-bromophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-4-[[4-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-[4-(3-bromobenzoyl)-3-methylpiperazin-1-yl]-4-[[4-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-[4-(3-bromobenzoyl)-3-methyl-piperazino]-4-[[4-(o-tolyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C31H32BrN5O2S MolecularWeight: 618.58708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)Br)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4C)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)Br)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4C)C5=CC=CC=C5

InChI

InChI=1S/C31H32BrN5O2S/c1-22-10-6-7-15-27(22)37-29(24-11-4-3-5-12-24)33-34-31(37)40-19-9-16-28(38)35-17-18-36(23(2)21-35)30(39)25-13-8-14-26(32)20-25/h3-8,10-15,20,23H,9,16-19,21H2,1-2H3