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

Systemtic Name: 1-(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one Openeye Name: 1-[4-(cyclobutanecarbonyl)-3-methyl-piperazin-1-yl]-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one CAS Name: 1-[4-[cyclobutyl(oxo)methyl]-3-methyl-1-piperazinyl]-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-pentanone IUPAC Name: 1-[4-(cyclobutanecarbonyl)-3-methylpiperazin-1-yl]-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one Traditional Name: 1-[4-(cyclobutanecarbonyl)-3-methyl-piperazino]-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]pentan-1-one Formula: C29H35N5O2S MolecularWeight: 517.6855

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCC2)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCC2)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H35N5O2S/c1-22-21-32(18-19-33(22)28(36)24-13-10-14-24)26(35)17-8-9-20-37-29-31-30-27(23-11-4-2-5-12-23)34(29)25-15-6-3-7-16-25/h2-7,11-12,15-16,22,24H,8-10,13-14,17-21H2,1H3