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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-methylsulfonyl-1H-1,2,4-triazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-methylsulfonyl-1H-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-methylsulfonyl-1H-1,2,4-triazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-methylsulfonyl-1H-1,2,4-triazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-mesyl-1H-1,2,4-triazole Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=N2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=N2)S(=O)(=O)C)OC

InChI

InChI=1S/C11H13N3O4S/c1-17-8-5-4-7(6-9(8)18-2)10-12-11(14-13-10)19(3,15)16/h4-6H,1-3H3,(H,12,13,14)