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

Systemtic Name: 1-(4-butanoyl-3-methyl-piperazin-1-yl)-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one Openeye Name: 1-(4-butanoyl-3-methyl-piperazin-1-yl)-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one CAS Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-1-pentanone IUPAC Name: 1-(4-butanoyl-3-methylpiperazin-1-yl)-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one Traditional Name: 1-(4-butyryl-3-methyl-piperazino)-5-[(4,5-diphenyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N5O2S/c1-3-12-26(35)32-19-18-31(21-22(32)2)25(34)17-10-11-20-36-28-30-29-27(23-13-6-4-7-14-23)33(28)24-15-8-5-9-16-24/h4-9,13-16,22H,3,10-12,17-21H2,1-2H3