3-[4-ethyl-5-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-5-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[(3-ketobenzo[f]chromen-1-yl)methylthio]-1,2,4-triazol-3-yl]propionamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)CCC(=O)N

InChI

InChI=1S/C21H20N4O3S/c1-2-25-18(10-9-17(22)26)23-24-21(25)29-12-14-11-19(27)28-16-8-7-13-5-3-4-6-15(13)20(14)16/h3-8,11H,2,9-10,12H2,1H3,(H2,22,26)