2-(3-azanyl-1-methyl-pyrazol-4-yl)sulfanyl-3-(4-chlorophenyl)propanoate

Systemtic Name: 2-(3-azanyl-1-methyl-pyrazol-4-yl)sulfanyl-3-(4-chlorophenyl)propanoate Openeye Name: 2-(3-amino-1-methyl-pyrazol-4-yl)sulfanyl-3-(4-chlorophenyl)propanoate CAS Name: 2-[(3-amino-1-methyl-4-pyrazolyl)thio]-3-(4-chlorophenyl)propanoate IUPAC Name: 2-(3-amino-1-methylpyrazol-4-yl)sulfanyl-3-(4-chlorophenyl)propanoate Traditional Name: 2-[(3-amino-1-methyl-pyrazol-4-yl)thio]-3-(4-chlorophenyl)propionate Formula: C13H13ClN3O2S- MolecularWeight: 310.77922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)N)SC(CC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)N)SC(CC2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C13H14ClN3O2S/c1-17-7-11(12(15)16-17)20-10(13(18)19)6-8-2-4-9(14)5-3-8/h2-5,7,10H,6H2,1H3,(H2,15,16)(H,18,19)/p-1