methyl 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=CN1C2=CC(=CC=C2)NC(=O)C

Isomeric SMILES

CC(C(=O)OC)SC1=NN=CN1C2=CC(=CC=C2)NC(=O)C

InChI

InChI=1S/C14H16N4O3S/c1-9(13(20)21-3)22-14-17-15-8-18(14)12-6-4-5-11(7-12)16-10(2)19/h4-9H,1-3H3,(H,16,19)