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

Systemtic Name: 3-[[4-azanyl-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-amino-5-(4-chlorobenzyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C12H12ClN4O2S- MolecularWeight: 311.76728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NN=C(N2N)SCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NN=C(N2N)SCCC(=O)[O-])Cl

InChI

InChI=1S/C12H13ClN4O2S/c13-9-3-1-8(2-4-9)7-10-15-16-12(17(10)14)20-6-5-11(18)19/h1-4H,5-7,14H2,(H,18,19)/p-1