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

Systemtic Name: 3-[4-ethyl-5-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[[2-oxo-2-(phenethylamino)ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[[2-keto-2-(phenethylamino)ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CCC(=O)N

InChI

InChI=1S/C17H23N5O2S/c1-2-22-15(9-8-14(18)23)20-21-17(22)25-12-16(24)19-11-10-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,18,23)(H,19,24)