2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H28N4O2S/c1-15(2)13-24-19(16-7-9-17(26-3)10-8-16)21-22-20(24)27-14-18(25)23-11-5-4-6-12-23/h7-10,15H,4-6,11-14H2,1-3H3