7-bromanyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-bromanyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-bromo-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one Formula: C20H16BrN5OS MolecularWeight: 454.34294

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=O)N3C=C(C=CC3=N2)Br)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=O)N3C=C(C=CC3=N2)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H16BrN5OS/c1-2-10-25-19(14-6-4-3-5-7-14)23-24-20(25)28-13-16-11-18(27)26-12-15(21)8-9-17(26)22-16/h2-9,11-12H,1,10,13H2