7-methyl-4-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]coumarin Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

InChI=1S/C21H18N2O4S/c1-13-4-3-5-16(8-13)25-11-19-22-23-21(27-19)28-12-15-10-20(24)26-18-9-14(2)6-7-17(15)18/h3-10H,11-12H2,1-2H3