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

Systemtic Name: 3-[(4-methoxyphenoxy)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-methoxyphenoxy)methyl]-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(4-methoxyphenoxy)methyl]-5-(1-naphthalenylmethylthio)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-methoxyphenoxy)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-methoxyphenoxy)methyl]-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H25N3O2S/c1-32-24-14-16-25(17-15-24)33-19-27-29-30-28(31(27)18-21-8-3-2-4-9-21)34-20-23-12-7-11-22-10-5-6-13-26(22)23/h2-17H,18-20H2,1H3