3-[(2-chlorophenyl)methylsulfanyl]-N-(pyridin-4-ylmethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-N-(pyridin-4-ylmethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-N-(4-pyridylmethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-chlorophenyl)methylthio]-N-(pyridin-4-ylmethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-N-(pyridin-4-ylmethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chlorobenzyl)thio]-1,2,4-triazol-4-yl]-(4-pyridylmethyl)amine Formula: C15H14ClN5S MolecularWeight: 331.82316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=CN2NCC3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=CN2NCC3=CC=NC=C3)Cl

InChI

InChI=1S/C15H14ClN5S/c16-14-4-2-1-3-13(14)10-22-15-20-18-11-21(15)19-9-12-5-7-17-8-6-12/h1-8,11,19H,9-10H2