3-hexylsulfanyl-4-(4-methoxyphenyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazole

Systemtic Name: 3-hexylsulfanyl-4-(4-methoxyphenyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazole Openeye Name: 3-hexylsulfanyl-4-(4-methoxyphenyl)-5-(1-naphthyloxymethyl)-1,2,4-triazole CAS Name: 3-(hexylthio)-4-(4-methoxyphenyl)-5-(1-naphthalenyloxymethyl)-1,2,4-triazole IUPAC Name: 3-hexylsulfanyl-4-(4-methoxyphenyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazole Traditional Name: 3-(hexylthio)-4-(4-methoxyphenyl)-5-(1-naphthoxymethyl)-1,2,4-triazole Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(N1C2=CC=C(C=C2)OC)COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCSC1=NN=C(N1C2=CC=C(C=C2)OC)COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H29N3O2S/c1-3-4-5-8-18-32-26-28-27-25(29(26)21-14-16-22(30-2)17-15-21)19-31-24-13-9-11-20-10-6-7-12-23(20)24/h6-7,9-17H,3-5,8,18-19H2,1-2H3