(E)-2-cyano-3-[4-[(5-oxidanylidene-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-N-phenyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-[(5-oxidanylidene-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-N-phenyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-N-phenyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[4-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-N-phenyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-N-phenylprop-2-enamide Traditional Name: (E)-2-cyano-3-[4-[(5-keto-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-N-phenyl-acrylamide Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN2C(=O)C=C(N=C2S1)COC3=CC=C(C=C3)C=C(C#N)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCCC1=NN2C(=O)C=C(N=C2S1)COC3=CC=C(C=C3)/C=C(\C#N)/C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H21N5O3S/c1-2-6-22-29-30-23(31)14-20(28-25(30)34-22)16-33-21-11-9-17(10-12-21)13-18(15-26)24(32)27-19-7-4-3-5-8-19/h3-5,7-14H,2,6,16H2,1H3,(H,27,32)/b18-13+