4-[[5-(3-oxidanylidenebenzo[f]chromen-2-yl)-1,3,4-thiadiazol-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[5-(3-oxidanylidenebenzo[f]chromen-2-yl)-1,3,4-thiadiazol-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-(3-oxobenzo[f]chromen-2-yl)-1,3,4-thiadiazol-2-yl]amino]benzonitrile CAS Name: 4-[[5-(3-oxo-2-benzo[f][1]benzopyranyl)-1,3,4-thiadiazol-2-yl]amino]benzonitrile IUPAC Name: 4-[[5-(3-oxobenzo[f]chromen-2-yl)-1,3,4-thiadiazol-2-yl]amino]benzonitrile Traditional Name: 4-[[5-(3-ketobenzo[f]chromen-2-yl)-1,3,4-thiadiazol-2-yl]amino]benzonitrile Formula: C22H12N4O2S MolecularWeight: 396.42128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NN=C(S4)NC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NN=C(S4)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C22H12N4O2S/c23-12-13-5-8-15(9-6-13)24-22-26-25-20(29-22)18-11-17-16-4-2-1-3-14(16)7-10-19(17)28-21(18)27/h1-11H,(H,24,26)