3-methyl-5-methylsulfanyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-methyl-5-methylsulfanyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazole Openeye Name: 4-(4-benzyloxyphenyl)-3-methyl-5-methylsulfanyl-1,2,4-triazole CAS Name: 3-methyl-5-(methylthio)-4-(4-phenylmethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-methyl-5-methylsulfanyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazole Traditional Name: 4-(4-benzoxyphenyl)-3-methyl-5-(methylthio)-1,2,4-triazole Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)SC

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)SC

InChI

InChI=1S/C17H17N3OS/c1-13-18-19-17(22-2)20(13)15-8-10-16(11-9-15)21-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3