2-[[5-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-isopropyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-methyl-1-piperazinyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-isopropyl-5-(4-methylpiperazino)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H21N5O2S MolecularWeight: 299.39244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)O)N2CCN(CC2)C

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)O)N2CCN(CC2)C

InChI

InChI=1S/C12H21N5O2S/c1-9(2)17-11(16-6-4-15(3)5-7-16)13-14-12(17)20-8-10(18)19/h9H,4-8H2,1-3H3,(H,18,19)