4-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC)OCC

InChI

InChI=1S/C21H25N3O3S/c1-4-26-18-11-6-15(14-19(18)27-5-2)12-13-24-20(22-23-21(24)28)16-7-9-17(25-3)10-8-16/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,28)