3-(naphthalen-1-yloxymethyl)-4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(naphthalen-1-yloxymethyl)-4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-benzylsulfanyl-5-(1-naphthyloxymethyl)-1,2,4-triazole CAS Name: 3-(1-naphthalenyloxymethyl)-4-(phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 4-benzyl-3-benzylsulfanyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(benzylthio)-5-(1-naphthoxymethyl)-1,2,4-triazole Formula: C27H23N3OS MolecularWeight: 437.55602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)COC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)COC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H23N3OS/c1-3-10-21(11-4-1)18-30-26(28-29-27(30)32-20-22-12-5-2-6-13-22)19-31-25-17-9-15-23-14-7-8-16-24(23)25/h1-17H,18-20H2