2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine

Systemtic Name: 2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine Openeye Name: 2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine CAS Name: 2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]ethanamine IUPAC Name: 2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine Traditional Name: 2-[[5-(4-chlorobenzyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethylamine Formula: C12H15ClN4S MolecularWeight: 282.7923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCN)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=NN=C1SCCN)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H15ClN4S/c1-17-11(15-16-12(17)18-7-6-14)8-9-2-4-10(13)5-3-9/h2-5H,6-8,14H2,1H3