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

Systemtic Name: 1-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)-4-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]-4-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-4-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-4-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]-4-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C(=O)CCCSC3=NN=C(N3C4=CC=C(C=C4)C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C(=O)CCCSC3=NN=C(N3C4=CC=C(C=C4)C)C

InChI

InChI=1S/C23H31N5O2S/c1-16-6-10-20(11-7-16)28-18(3)24-25-23(28)31-14-4-5-21(29)26-12-13-27(17(2)15-26)22(30)19-8-9-19/h6-7,10-11,17,19H,4-5,8-9,12-15H2,1-3H3