5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(3,4,5-trimethoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(3,4,5-trimethoxybenzyl)thio]-1H-1,2,4-triazole Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CSC2=NC=NN2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CSC2=NC=NN2

InChI

InChI=1S/C12H15N3O3S/c1-16-9-4-8(5-10(17-2)11(9)18-3)6-19-12-13-7-14-15-12/h4-5,7H,6H2,1-3H3,(H,13,14,15)