3-[5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]-7-(diethylamino)chromen-2-one

Systemtic Name: 3-[5-[(4-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]-7-(diethylamino)chromen-2-one Openeye Name: 3-[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)chromen-2-one CAS Name: 3-[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)-1-benzopyran-2-one IUPAC Name: 3-[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)chromen-2-one Traditional Name: 3-[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)coumarin Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(S3)NC4=CC=C(C=C4)Br

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(S3)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4O2S/c1-3-26(4-2)16-10-5-13-11-17(20(27)28-18(13)12-16)19-24-25-21(29-19)23-15-8-6-14(22)7-9-15/h5-12H,3-4H2,1-2H3,(H,23,25)