4-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-phenylmethoxyethanoyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-phenylmethoxyethanoyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(2-benzyloxyacetyl)-3-methyl-piperazin-1-yl]-4-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 4-[[5-(2-furanyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-(1-oxo-2-phenylmethoxyethyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-phenylmethoxyacetyl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(2-benzoxyacetyl)-3-methyl-piperazino]-4-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C31H35N5O4S MolecularWeight: 573.7057

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)COCC2=CC=CC=C2)C(=O)CCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CO5

Isomeric SMILES

CC1CN(CCN1C(=O)COCC2=CC=CC=C2)C(=O)CCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CO5

InChI

InChI=1S/C31H35N5O4S/c1-23-12-14-26(15-13-23)36-30(27-10-6-18-40-27)32-33-31(36)41-19-7-11-28(37)34-16-17-35(24(2)20-34)29(38)22-39-21-25-8-4-3-5-9-25/h3-6,8-10,12-15,18,24H,7,11,16-17,19-22H2,1-2H3