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

Systemtic Name: 1-(3-methyl-4-pentanoyl-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-(3-methyl-4-pentanoyl-piperazin-1-yl)pentan-1-one CAS Name: 1-[3-methyl-4-(1-oxopentyl)-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-(3-methyl-4-pentanoylpiperazin-1-yl)pentan-1-one Traditional Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3-methyl-4-valeryl-piperazino)pentan-1-one Formula: C30H39N5O2S MolecularWeight: 533.72796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)N1CCN(CC1C)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H39N5O2S/c1-3-4-17-29(37)34-20-19-33(23-24(34)2)28(36)18-11-12-21-38-30-32-31-27(22-25-13-7-5-8-14-25)35(30)26-15-9-6-10-16-26/h5-10,13-16,24H,3-4,11-12,17-23H2,1-2H3