1-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(cyclopentanecarbonyl)-3-methyl-piperazin-1-yl]butan-1-one CAS Name: 1-[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]butan-1-one Traditional Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(cyclopentanecarbonyl)-3-methyl-piperazino]butan-1-one Formula: C30H37N5O2S MolecularWeight: 531.71208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCC2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCC2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H37N5O2S/c1-23-22-33(18-19-34(23)29(37)25-13-8-9-14-25)28(36)17-10-20-38-30-32-31-27(21-24-11-4-2-5-12-24)35(30)26-15-6-3-7-16-26/h2-7,11-12,15-16,23,25H,8-10,13-14,17-22H2,1H3