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

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-coumarin Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C23H22N2O3S/c1-14-5-10-18-16(12-20(26)27-19(18)11-14)13-29-22-25-24-21(28-22)15-6-8-17(9-7-15)23(2,3)4/h5-12H,13H2,1-4H3