5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-4-propanoyl-piperazin-1-yl)pentan-1-one

Systemtic Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-4-propanoyl-piperazin-1-yl)pentan-1-one Openeye Name: 1-(3-methyl-4-propanoyl-piperazin-1-yl)-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[3-methyl-4-(1-oxopropyl)-1-piperazinyl]-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-4-propanoylpiperazin-1-yl)pentan-1-one Traditional Name: 1-(3-methyl-4-propionyl-piperazino)-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C28H35N5O2S MolecularWeight: 505.6748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(=O)N1CCN(CC1C)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H35N5O2S/c1-4-25(34)32-18-17-31(20-22(32)3)26(35)12-8-9-19-36-28-30-29-27(23-15-13-21(2)14-16-23)33(28)24-10-6-5-7-11-24/h5-7,10-11,13-16,22H,4,8-9,12,17-20H2,1-3H3