3-[(4-chlorophenyl)methylsulfanyl]-N-(cyclopentylideneamino)-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-N-(cyclopentylideneamino)-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-N-(cyclopentylideneamino)-1H-1,2,4-triazol-5-amine CAS Name: 3-[(4-chlorophenyl)methylthio]-N-(cyclopentylideneamino)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-N-(cyclopentylideneamino)-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-(cyclopentylideneamino)amine Formula: C14H16ClN5S MolecularWeight: 321.82834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NNC2=NC(=NN2)SCC3=CC=C(C=C3)Cl)C1

Isomeric SMILES

C1CCC(=NNC2=NC(=NN2)SCC3=CC=C(C=C3)Cl)C1

InChI

InChI=1S/C14H16ClN5S/c15-11-7-5-10(6-8-11)9-21-14-16-13(19-20-14)18-17-12-3-1-2-4-12/h5-8H,1-4,9H2,(H2,16,18,19,20)