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

Systemtic Name: 7-bromanyl-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-bromo-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-bromo-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-bromo-2-[[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C25H18BrN5O3S MolecularWeight: 548.41112

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC(=O)N6C=C(C=CC6=N5)Br

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC(=O)N6C=C(C=CC6=N5)Br

InChI

InChI=1S/C25H18BrN5O3S/c26-16-10-11-22-27-17(12-23(32)30(22)13-16)15-35-25-29-28-24(31(25)18-6-2-1-3-7-18)21-14-33-19-8-4-5-9-20(19)34-21/h1-13,21H,14-15H2