2-[[5-azanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]carbothioylamino]ethanoic acid

Systemtic Name: 2-[[5-azanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]carbothioylamino]ethanoic acid Openeye Name: 2-[[5-amino-3-(4-chlorophenyl)-1,2,4-triazole-1-carbothioyl]amino]acetic acid CAS Name: 2-[[[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[[5-amino-3-(4-chlorophenyl)-1,2,4-triazole-1-carbothioyl]amino]acetic acid Traditional Name: 2-[[5-amino-3-(4-chlorophenyl)-1,2,4-triazole-1-carbothioyl]amino]acetic acid Formula: C11H10ClN5O2S MolecularWeight: 311.7474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=N2)N)C(=S)NCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=N2)N)C(=S)NCC(=O)O)Cl

InChI

InChI=1S/C11H10ClN5O2S/c12-7-3-1-6(2-4-7)9-15-10(13)17(16-9)11(20)14-5-8(18)19/h1-4H,5H2,(H,14,20)(H,18,19)(H2,13,15,16)