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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(1-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-(1-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(1-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)COC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)COC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H28N4O3S/c1-33-22-14-12-21(13-15-22)31-25(18-34-24-11-7-9-20-8-3-4-10-23(20)24)28-29-27(31)35-19-26(32)30-16-5-2-6-17-30/h3-4,7-15H,2,5-6,16-19H2,1H3