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

Systemtic Name: 1-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]-4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]-4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C26H37N5O2S MolecularWeight: 483.66928

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4C)C

InChI

InChI=1S/C26H37N5O2S/c1-19-10-7-8-13-23(19)31-21(3)27-28-26(31)34-17-9-14-24(32)29-15-16-30(20(2)18-29)25(33)22-11-5-4-6-12-22/h7-8,10,13,20,22H,4-6,9,11-12,14-18H2,1-3H3