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

Systemtic Name: 1-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 1-[3-methyl-4-(2-methyl-1-oxopropyl)-1-piperazinyl]-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-isobutyryl-3-methyl-piperazino)-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)C)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)C)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C

InChI

InChI=1S/C22H31N5O2S/c1-16(2)21(29)26-13-12-25(15-17(26)3)20(28)11-8-14-30-22-24-23-18(4)27(22)19-9-6-5-7-10-19/h5-7,9-10,16-17H,8,11-15H2,1-4H3