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

Systemtic Name: 4-methyl-3-phenethylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-phenethylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 4-methyl-3-(phenethylthio)-5-(phenoxymethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-phenethylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-(phenethylthio)-5-(phenoxymethyl)-1,2,4-triazole Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC2=CC=CC=C2)COC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCC2=CC=CC=C2)COC3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS/c1-21-17(14-22-16-10-6-3-7-11-16)19-20-18(21)23-13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3