2-(3-methylcyclohexylidene)-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-(3-methylcyclohexylidene)-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-(3-methylcyclohexylidene)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]acetonitrile CAS Name: 2-(3-methylcyclohexylidene)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]acetonitrile IUPAC Name: 2-(3-methylcyclohexylidene)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-(2-ketochromen-3-yl)thiazol-2-yl]-2-(3-methylcyclohexylidene)acetonitrile Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)C1

Isomeric SMILES

CC1CCCC(=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)C1

InChI

InChI=1S/C21H18N2O2S/c1-13-5-4-7-14(9-13)17(11-22)20-23-18(12-26-20)16-10-15-6-2-3-8-19(15)25-21(16)24/h2-3,6,8,10,12-13H,4-5,7,9H2,1H3