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

Systemtic Name: 1-(4-butanoyl-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-butanoyl-3-methyl-piperazin-1-yl)butan-1-one CAS Name: 1-[3-methyl-4-(1-oxobutyl)-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-butanoyl-3-methylpiperazin-1-yl)butan-1-one Traditional Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-butyryl-3-methyl-piperazino)butan-1-one Formula: C28H35N5O2S MolecularWeight: 505.6748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

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