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

Systemtic Name: methyl 2-[[5-azanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[5-amino-3-(4-chlorophenyl)-1,2,4-triazole-1-carbothioyl]amino]acetate CAS Name: 2-[[[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[5-amino-3-(4-chlorophenyl)-1,2,4-triazole-1-carbothioyl]amino]acetate Traditional Name: 2-[[5-amino-3-(4-chlorophenyl)-1,2,4-triazole-1-carbothioyl]amino]acetic acid methyl ester Formula: C12H12ClN5O2S MolecularWeight: 325.77398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)N

Isomeric SMILES

COC(=O)CNC(=S)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C12H12ClN5O2S/c1-20-9(19)6-15-12(21)18-11(14)16-10(17-18)7-2-4-8(13)5-3-7/h2-5H,6H2,1H3,(H,15,21)(H2,14,16,17)