4-phenethyl-3-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-phenethyl-3-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-phenethyl-3-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-phenethyl-3-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-phenethyl-3-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-phenethyl-3-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C2=NNC(=S)N2CCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C2=NNC(=S)N2CCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-4-26-18-14-17(15-19(27-5-2)20(18)28-6-3)21-23-24-22(29)25(21)13-12-16-10-8-7-9-11-16/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,24,29)