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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)N5C=C(C=CC5=N4)Br

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)N5C=C(C=CC5=N4)Br

InChI

InChI=1S/C20H16BrN5OS/c21-14-8-9-17-22-15(10-18(27)25(17)11-14)12-28-20-24-23-19(13-6-7-13)26(20)16-4-2-1-3-5-16/h1-5,8-11,13H,6-7,12H2