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

Systemtic Name: 4-[[4-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-4-propanoyl-piperazin-1-yl)butan-1-one Openeye Name: 1-(3-methyl-4-propanoyl-piperazin-1-yl)-4-[[4-(o-tolyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[3-methyl-4-(1-oxopropyl)-1-piperazinyl]-4-[[4-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 4-[[4-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-4-propanoylpiperazin-1-yl)butan-1-one Traditional Name: 1-(3-methyl-4-propionyl-piperazino)-4-[[4-(o-tolyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3C)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3C)C4=CC=CC=C4

InChI

InChI=1S/C27H33N5O2S/c1-4-24(33)31-17-16-30(19-21(31)3)25(34)15-10-18-35-27-29-28-26(22-12-6-5-7-13-22)32(27)23-14-9-8-11-20(23)2/h5-9,11-14,21H,4,10,15-19H2,1-3H3