3-[4-methyl-5-[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[2-oxo-2-(2-phenoxyethylamino)ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-keto-2-(2-phenoxyethylamino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCCOC2=CC=CC=C2)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCCOC2=CC=CC=C2)CCC(=O)N

InChI

InChI=1S/C16H21N5O3S/c1-21-14(8-7-13(17)22)19-20-16(21)25-11-15(23)18-9-10-24-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,17,22)(H,18,23)