3-methylsulfanyl-5-(phenoxymethyl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-methylsulfanyl-5-(phenoxymethyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-methylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 3-(methylthio)-5-(phenoxymethyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-methylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(methylthio)-5-(phenoxymethyl)-1,2,4-triazole Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC2=CC=CC=C2)COC3=CC=CC=C3

Isomeric SMILES

CSC1=NN=C(N1CC2=CC=CC=C2)COC3=CC=CC=C3

InChI

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