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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(3,4-dimethoxyphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(3,4-dimethoxyphenyl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(3,4-dimethoxyphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 5-phenyl-3-(veratrylthio)-1H-1,2,4-triazole Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3)OC

InChI

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