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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-benzyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(3-methoxypropyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-benzyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-benzyl-4-(3-methoxypropyl)-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:

COCCCN1C(=NN=C1SCC(=O)N2CCCCC2)CC3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)N2CCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2S/c1-26-14-8-13-24-18(15-17-9-4-2-5-10-17)21-22-20(24)27-16-19(25)23-11-6-3-7-12-23/h2,4-5,9-10H,3,6-8,11-16H2,1H3