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

Systemtic Name: methyl 3-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[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(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCCC(=O)OC)C3CC3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCCC(=O)OC)C3CC3

InChI

InChI=1S/C17H20N4O3S/c1-11(22)18-13-4-3-5-14(10-13)21-16(12-6-7-12)19-20-17(21)25-9-8-15(23)24-2/h3-5,10,12H,6-9H2,1-2H3,(H,18,22)