3-[[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[3-[(4-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[3-[(4-chlorobenzyl)thio]-1,2,4-triazol-4-yl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C15H22ClN6S2+ MolecularWeight: 385.95838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NN1C=NN=C1SCC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)NN1C=NN=C1SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H21ClN6S2/c1-21(2)9-3-8-17-14(23)20-22-11-18-19-15(22)24-10-12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H2,17,20,23)/p+1