5-[6-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentylazanium

Systemtic Name: 5-[6-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentylazanium Openeye Name: 5-[6-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentylammonium CAS Name: 5-[6-[(3-chlorophenyl)methylthio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentylammonium IUPAC Name: 5-[6-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentylazanium Traditional Name: 5-[6-[(3-chlorobenzyl)thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentylammonium Formula: C15H19ClN5S2+ MolecularWeight: 368.92786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSC2=NN3C(=NN=C3S2)CCCCC[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSC2=NN3C(=NN=C3S2)CCCCC[NH3+]

InChI

InChI=1S/C15H18ClN5S2/c16-12-6-4-5-11(9-12)10-22-15-20-21-13(7-2-1-3-8-17)18-19-14(21)23-15/h4-6,9H,1-3,7-8,10,17H2/p+1