4-methyl-7-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

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