5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethanoyl-3-methyl-piperazin-1-yl)pentan-1-one

Systemtic Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethanoyl-3-methyl-piperazin-1-yl)pentan-1-one Openeye Name: 1-(4-acetyl-3-methyl-piperazin-1-yl)-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one CAS Name: 1-(4-acetyl-3-methyl-1-piperazinyl)-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-pentanone IUPAC Name: 1-(4-acetyl-3-methylpiperazin-1-yl)-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one Traditional Name: 1-(4-acetyl-3-methyl-piperazino)-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]pentan-1-one Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2S/c1-20-19-29(16-17-30(20)21(2)32)24(33)15-9-10-18-34-26-28-27-25(22-11-5-3-6-12-22)31(26)23-13-7-4-8-14-23/h3-8,11-14,20H,9-10,15-19H2,1-2H3