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

Systemtic Name: 3-decylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-decylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-(decylthio)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-decylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-(decylthio)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NNC(=N1)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCCCCCCSC1=NNC(=N1)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H31N3O2S/c1-4-5-6-7-8-9-10-11-14-26-20-21-19(22-23-20)16-12-13-17(24-2)18(15-16)25-3/h12-13,15H,4-11,14H2,1-3H3,(H,21,22,23)