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

Systemtic Name: 1-[4-(2-bromophenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-[4-(2-bromobenzoyl)-3-methyl-piperazin-1-yl]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[4-[(2-bromophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-[4-(2-bromobenzoyl)-3-methylpiperazin-1-yl]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-[4-(2-bromobenzoyl)-3-methyl-piperazino]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C32H34BrN5O3S MolecularWeight: 648.61306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2Br)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2Br)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C32H34BrN5O3S/c1-23-22-36(19-20-37(23)31(40)27-12-6-7-13-28(27)33)29(39)14-8-9-21-42-32-35-34-30(24-10-4-3-5-11-24)38(32)25-15-17-26(41-2)18-16-25/h3-7,10-13,15-18,23H,8-9,14,19-22H2,1-2H3