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

Systemtic Name: 7-bromanyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-bromo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one Formula: C19H15BrN6OS MolecularWeight: 455.331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN6OS/c1-2-9-25-18(13-5-7-21-8-6-13)23-24-19(25)28-12-15-10-17(27)26-11-14(20)3-4-16(26)22-15/h2-8,10-11H,1,9,12H2