7-bromanyl-2-[[(E)-3-phenylprop-2-enyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-bromanyl-2-[[(E)-3-phenylprop-2-enyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-bromo-2-[[(E)-cinnamyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[[[(E)-3-phenylprop-2-enyl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-bromo-2-[[(E)-3-phenylprop-2-enyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-bromo-2-[[[(E)-cinnamyl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C18H15BrN2OS MolecularWeight: 387.2935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSCC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSCC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C18H15BrN2OS/c19-15-8-9-17-20-16(11-18(22)21(17)12-15)13-23-10-4-7-14-5-2-1-3-6-14/h1-9,11-12H,10,13H2/b7-4+