2-[(5-chloranyl-2-cyano-phenyl)carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-chloranyl-2-cyano-phenyl)carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-chloro-2-cyano-phenyl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[(5-chloro-2-cyanoanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-chloro-2-cyanophenyl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(5-chloro-2-cyano-phenyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C12H16ClN4S+ MolecularWeight: 283.80024

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=C(C=CC(=C1)Cl)C#N

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=C(C=CC(=C1)Cl)C#N

InChI

InChI=1S/C12H15ClN4S/c1-17(2)6-5-15-12(18)16-11-7-10(13)4-3-9(11)8-14/h3-4,7H,5-6H2,1-2H3,(H2,15,16,18)/p+1