3-[(4-chlorophenyl)methyl]-4-(2,2-diethoxyethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-chlorophenyl)methyl]-4-(2,2-diethoxyethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-chlorophenyl)methyl]-4-(2,2-diethoxyethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-chlorophenyl)methyl]-4-(2,2-diethoxyethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-chlorophenyl)methyl]-4-(2,2-diethoxyethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chlorobenzyl)-4-(2,2-diethoxyethyl)-1H-1,2,4-triazole-5-thione Formula: C15H20ClN3O2S MolecularWeight: 341.8562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=NNC1=S)CC2=CC=C(C=C2)Cl)OCC

Isomeric SMILES

CCOC(CN1C(=NNC1=S)CC2=CC=C(C=C2)Cl)OCC

InChI

InChI=1S/C15H20ClN3O2S/c1-3-20-14(21-4-2)10-19-13(17-18-15(19)22)9-11-5-7-12(16)8-6-11/h5-8,14H,3-4,9-10H2,1-2H3,(H,18,22)