4-methyl-3-(phenoxymethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-(phenoxymethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-methyl-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 4-methyl-3-(phenoxymethyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)COC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)COC3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c1-20-16(12-21-15-10-6-3-7-11-15)18-19-17(20)22-13-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3