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

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(3,4-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(3,4-dimethoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(3,4-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(veratrylthio)-1H-1,2,4-triazole Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC=NN2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC=NN2)OC

InChI

InChI=1S/C11H13N3O2S/c1-15-9-4-3-8(5-10(9)16-2)6-17-11-12-7-13-14-11/h3-5,7H,6H2,1-2H3,(H,12,13,14)