1-(4-ethylpiperazin-1-yl)-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-ethylpiperazino)-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H31N5OS/c1-3-28-15-17-29(18-16-28)23(31)10-7-19-32-25-27-26-24(21-13-11-20(2)12-14-21)30(25)22-8-5-4-6-9-22/h4-6,8-9,11-14H,3,7,10,15-19H2,1-2H3