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

Systemtic Name: 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-(butylthio)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-(butylthio)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NNC(=N1)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCSC1=NNC(=N1)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C14H19N3O2S/c1-4-5-8-20-14-15-13(16-17-14)10-6-7-11(18-2)12(9-10)19-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16,17)