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

Systemtic Name: (E)-3-(4-oxidanylidenechromen-3-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-oxochromen-3-yl)-2-[4-(4-phenylphenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(4-oxo-1-benzopyran-3-yl)-2-[4-(4-phenylphenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(4-oxochromen-3-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-3-(4-ketochromen-3-yl)-2-[4-(4-phenylphenyl)thiazol-2-yl]acrylonitrile Formula: C27H16N2O2S MolecularWeight: 432.49314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)C(=CC4=COC5=CC=CC=C5C4=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)/C(=C/C4=COC5=CC=CC=C5C4=O)/C#N

InChI

InChI=1S/C27H16N2O2S/c28-15-21(14-22-16-31-25-9-5-4-8-23(25)26(22)30)27-29-24(17-32-27)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-14,16-17H/b21-14+