3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-5-butyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-5-butyl-1,2,4-triazol-4-amine Openeye Name: 3-butyl-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-butyl-5-[(2,6-dichlorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-butyl-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-butyl-5-[(2,6-dichlorobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C13H16Cl2N4S MolecularWeight: 331.26394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl2N4S/c1-2-3-7-12-17-18-13(19(12)16)20-8-9-10(14)5-4-6-11(9)15/h4-6H,2-3,7-8,16H2,1H3