methyl 2-[[4-azanyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-azanyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1N)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NN=C(N1N)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C14H14N6O2S/c1-22-12(21)8-23-14-19-18-13(20(14)15)11-7-10(16-17-11)9-5-3-2-4-6-9/h2-7H,8,15H2,1H3,(H,16,17)