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

Systemtic Name: 1-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]pentan-1-one Traditional Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]pentan-1-one Formula: C29H35N5O2S MolecularWeight: 517.6855

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

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