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

Systemtic Name: 4-[[5-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3,4-thiadiazol-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-[7-(diethylamino)-2-oxo-chromen-3-yl]-1,3,4-thiadiazol-2-yl]amino]benzonitrile CAS Name: 4-[[5-[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]-1,3,4-thiadiazol-2-yl]amino]benzonitrile IUPAC Name: 4-[[5-[7-(diethylamino)-2-oxochromen-3-yl]-1,3,4-thiadiazol-2-yl]amino]benzonitrile Traditional Name: 4-[[5-[7-(diethylamino)-2-keto-chromen-3-yl]-1,3,4-thiadiazol-2-yl]amino]benzonitrile Formula: C22H19N5O2S MolecularWeight: 417.48356

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O2S/c1-3-27(4-2)17-10-7-15-11-18(21(28)29-19(15)12-17)20-25-26-22(30-20)24-16-8-5-14(13-23)6-9-16/h5-12H,3-4H2,1-2H3,(H,24,26)