3-[4-ethyl-5-[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-5-[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[[2-keto-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCC(=CC2)C3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCC(=CC2)C3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C20H25N5O2S/c1-2-25-18(9-8-17(21)26)22-23-20(25)28-14-19(27)24-12-10-16(11-13-24)15-6-4-3-5-7-15/h3-7,10H,2,8-9,11-14H2,1H3,(H2,21,26)