1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(2-phenoxyethyl)-1-piperazinyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(2-phenoxyethyl)piperazino]ethanone Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C19H27N5O2S/c1-15(2)18-20-19(22-21-18)27-14-17(25)24-10-8-23(9-11-24)12-13-26-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,20,21,22)