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

Systemtic Name: 3-[4-methyl-5-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(3-ketobenzo[f]chromen-1-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)CCC(=O)N

InChI

InChI=1S/C20H18N4O3S/c1-24-17(9-8-16(21)25)22-23-20(24)28-11-13-10-18(26)27-15-7-6-12-4-2-3-5-14(12)19(13)15/h2-7,10H,8-9,11H2,1H3,(H2,21,25)