7-[[5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]methoxy]-6-ethyl-4-methyl-chromen-2-one

Systemtic Name: 7-[[5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]methoxy]-6-ethyl-4-methyl-chromen-2-one Openeye Name: 7-[[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]methoxy]-6-ethyl-4-methyl-chromen-2-one CAS Name: 7-[[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]methoxy]-6-ethyl-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]methoxy]-6-ethyl-4-methylchromen-2-one Traditional Name: 7-[[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]methoxy]-6-ethyl-4-methyl-coumarin Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCC3=NN=C(S3)NC4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCC3=NN=C(S3)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O3S/c1-3-13-9-16-12(2)8-20(26)28-18(16)10-17(13)27-11-19-24-25-21(29-19)23-15-6-4-14(22)5-7-15/h4-10H,3,11H2,1-2H3,(H,23,25)