3-cyclohexyl-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-cyclohexyl-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-cyclohexyl-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-cyclohexyl-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-cyclohexyl-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-cyclohexyl-2-[4-(2-ketochromen-3-yl)thiazol-2-yl]acrylonitrile Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CCC(CC1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H18N2O2S/c22-12-16(10-14-6-2-1-3-7-14)20-23-18(13-26-20)17-11-15-8-4-5-9-19(15)25-21(17)24/h4-5,8-11,13-14H,1-3,6-7H2