3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-butyl-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-butyl-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C13H17ClN4S MolecularWeight: 296.81888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC2=CC=CC=C2Cl

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC2=CC=CC=C2Cl

InChI

InChI=1S/C13H17ClN4S/c1-2-3-8-12-16-17-13(18(12)15)19-9-10-6-4-5-7-11(10)14/h4-7H,2-3,8-9,15H2,1H3