3-[(4-methoxyphenoxy)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-methoxyphenoxy)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-methoxyphenoxy)methyl]-5-(1-naphthylmethylsulfanyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-methoxyphenoxy)methyl]-5-(1-naphthalenylmethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-methoxyphenoxy)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-methoxyphenoxy)methyl]-5-(1-naphthylmethylthio)-4-phenyl-1,2,4-triazole Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H23N3O2S/c1-31-23-14-16-24(17-15-23)32-18-26-28-29-27(30(26)22-11-3-2-4-12-22)33-19-21-10-7-9-20-8-5-6-13-25(20)21/h2-17H,18-19H2,1H3