(E)-3-(4-tert-butylphenyl)-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: (E)-3-(4-tert-butylphenyl)-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-tert-butylphenyl)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(4-tert-butylphenyl)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(4-tert-butylphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-3-(4-tert-butylphenyl)-2-[4-(2-ketochromen-3-yl)thiazol-2-yl]acrylonitrile Formula: C25H20N2O2S MolecularWeight: 412.5035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O2S/c1-25(2,3)19-10-8-16(9-11-19)12-18(14-26)23-27-21(15-30-23)20-13-17-6-4-5-7-22(17)29-24(20)28/h4-13,15H,1-3H3/b18-12+