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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(2-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-(2-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(2-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=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)COC4=CC5=CC=CC=C5C=C4

InChI

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