methyl 4-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC)C3CC3

InChI

InChI=1S/C19H24N4O3S/c1-4-23-16(14-9-10-14)21-22-19(23)27-12(2)17(24)20-11-13-5-7-15(8-6-13)18(25)26-3/h5-8,12,14H,4,9-11H2,1-3H3,(H,20,24)