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

Systemtic Name: 2-[[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[3-[(4-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[3-[(4-chlorobenzyl)thio]-1,2,4-triazol-4-yl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C14H20ClN6S2+ MolecularWeight: 371.9318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN6S2/c1-20(2)8-7-16-13(22)19-21-10-17-18-14(21)23-9-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H2,16,19,22)/p+1