1-(4-ethanoyl-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-ethanoyl-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-acetyl-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-acetyl-3-methyl-1-piperazinyl)-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-acetyl-3-methylpiperazin-1-yl)-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-acetyl-3-methyl-piperazino)-4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3C)C

InChI

InChI=1S/C21H29N5O2S/c1-15-8-5-6-9-19(15)26-17(3)22-23-21(26)29-13-7-10-20(28)24-11-12-25(18(4)27)16(2)14-24/h5-6,8-9,16H,7,10-14H2,1-4H3