6-ethyl-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]thio]methyl]coumarin Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC(=CC=C4)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC(=CC=C4)C)O

InChI

InChI=1S/C21H18N2O4S/c1-3-13-8-16-15(9-19(25)26-18(16)10-17(13)24)11-28-21-23-22-20(27-21)14-6-4-5-12(2)7-14/h4-10,24H,3,11H2,1-2H3