4-[[5-(6-chloranyl-2-oxidanylidene-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[5-(6-chloranyl-2-oxidanylidene-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-(6-chloro-2-oxo-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzonitrile CAS Name: 4-[[5-(6-chloro-2-oxo-1-benzopyran-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzonitrile IUPAC Name: 4-[[5-(6-chloro-2-oxochromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzonitrile Traditional Name: 4-[[5-(6-chloro-2-keto-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzonitrile Formula: C18H9ClN4O2S MolecularWeight: 380.80766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)Cl)OC3=O

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)Cl)OC3=O

InChI

InChI=1S/C18H9ClN4O2S/c19-12-3-6-15-11(7-12)8-14(17(24)25-15)16-22-23-18(26-16)21-13-4-1-10(9-20)2-5-13/h1-8H,(H,21,23)