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

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)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-(1-naphthylmethyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)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-(1-naphthylmethyl)piperazino]ethanone Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H27N5OS/c1-16(2)21-23-22(25-24-21)29-15-20(28)27-12-10-26(11-13-27)14-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16H,10-15H2,1-2H3,(H,23,24,25)