2-[2-carbamothioyl-5-(3-chlorophenyl)-3-oxidanylidene-1H-pyrazol-4-yl]ethylazanium

Systemtic Name: 2-[2-carbamothioyl-5-(3-chlorophenyl)-3-oxidanylidene-1H-pyrazol-4-yl]ethylazanium Openeye Name: 2-[2-carbamothioyl-5-(3-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]ethylammonium CAS Name: 2-[2-carbamothioyl-5-(3-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]ethylammonium IUPAC Name: 2-[2-carbamothioyl-5-(3-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]ethylazanium Traditional Name: 2-[3-(3-chlorophenyl)-5-keto-1-thiocarbamoyl-3-pyrazolin-4-yl]ethylammonium Formula: C12H14ClN4OS+ MolecularWeight: 297.78376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=C(C(=O)N(N2)C(=S)N)CC[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=C(C(=O)N(N2)C(=S)N)CC[NH3+]

InChI

InChI=1S/C12H13ClN4OS/c13-8-3-1-2-7(6-8)10-9(4-5-14)11(18)17(16-10)12(15)19/h1-3,6,16H,4-5,14H2,(H2,15,19)/p+1