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

Systemtic Name: 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-benzylpiperazino)-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5OS/c1-20-25-26-24(29(20)22-11-6-3-7-12-22)31-18-8-13-23(30)28-16-14-27(15-17-28)19-21-9-4-2-5-10-21/h2-7,9-12H,8,13-19H2,1H3