3-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1S)-2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C24H29N5O2S MolecularWeight: 451.58436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2S/c1-19(22(30)28-16-14-27(15-17-28)18-21-10-6-3-7-11-21)32-24-26-25-23(31)29(24)13-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3,(H,25,31)/t19-/m0/s1