2-[1-(4-iodophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[1-(4-iodophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylethanenitrile Openeye Name: 2-[1-(4-iodophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylacetonitrile CAS Name: 2-[[1-(4-iodophenyl)-4-(2-oxo-1-benzopyran-3-yl)-2-imidazolyl]thio]acetonitrile IUPAC Name: 2-[1-(4-iodophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(4-iodophenyl)-4-(2-ketochromen-3-yl)imidazol-2-yl]thio]acetonitrile Formula: C20H12IN3O2S MolecularWeight: 485.29765

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCC#N)C4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCC#N)C4=CC=C(C=C4)I

InChI

InChI=1S/C20H12IN3O2S/c21-14-5-7-15(8-6-14)24-12-17(23-20(24)27-10-9-22)16-11-13-3-1-2-4-18(13)26-19(16)25/h1-8,11-12H,10H2