3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[4-(o-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-[4-(2-methylbenzyl)piperazino]ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

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