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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-chlorophenyl)methyl]-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(4-chlorophenyl)methyl]-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(4-chlorophenyl)methyl]-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chlorobenzyl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione Formula: C11H12ClN3OS MolecularWeight: 269.75048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=NNC(=S)N1CC2=CC=C(C=C2)Cl

Isomeric SMILES

COCC1=NNC(=S)N1CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H12ClN3OS/c1-16-7-10-13-14-11(17)15(10)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,14,17)