2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperazino)ethanone Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)COC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)COC4=CC=CC=C4

InChI

InChI=1S/C22H31N5O2S/c1-25-12-14-26(15-13-25)21(28)17-30-22-24-23-20(16-29-19-10-6-3-7-11-19)27(22)18-8-4-2-5-9-18/h3,6-7,10-11,18H,2,4-5,8-9,12-17H2,1H3