4-(2,5-diethoxyphenyl)-3-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,5-diethoxyphenyl)-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,5-diethoxyphenyl)-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,5-diethoxyphenyl)-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,5-diethoxyphenyl)-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,5-diethoxyphenyl)-3-methyl-1H-1,2,4-triazole-5-thione Formula: C13H17N3O2S MolecularWeight: 279.35798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)N2C(=NNC2=S)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)N2C(=NNC2=S)C

InChI

InChI=1S/C13H17N3O2S/c1-4-17-10-6-7-12(18-5-2)11(8-10)16-9(3)14-15-13(16)19/h6-8H,4-5H2,1-3H3,(H,15,19)