5-(3,5-dimethoxyphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(3,5-dimethoxyphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole CAS Name: 5-(3,5-dimethoxyphenyl)-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C17H17N3O2S/c1-21-14-8-13(9-15(10-14)22-2)16-18-17(20-19-16)23-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,19,20)