4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C22H19BrN2O3S MolecularWeight: 471.36686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(O3)C4=CC=CC=C4Br)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(O3)C4=CC=CC=C4Br)C(C)C

InChI

InChI=1S/C22H19BrN2O3S/c1-12(2)16-10-17-14(9-20(26)27-19(17)8-13(16)3)11-29-22-25-24-21(28-22)15-6-4-5-7-18(15)23/h4-10,12H,11H2,1-3H3