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

Systemtic Name: methyl 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)C3CC3

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)C3CC3

InChI

InChI=1S/C17H20N4O3S/c1-10(16(23)24-3)25-17-20-19-15(12-7-8-12)21(17)14-6-4-5-13(9-14)18-11(2)22/h4-6,9-10,12H,7-8H2,1-3H3,(H,18,22)