9-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrido[1,2-a][1,3,5]triazin-4-one

Systemtic Name: 9-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrido[1,2-a][1,3,5]triazin-4-one Openeye Name: 2-[(E)-cinnamyl]sulfanyl-9-methyl-pyrido[1,2-a][1,3,5]triazin-4-one CAS Name: 9-methyl-2-[[(E)-3-phenylprop-2-enyl]thio]-4-pyrido[1,2-a][1,3,5]triazinone IUPAC Name: 9-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one Traditional Name: 2-[[(E)-cinnamyl]thio]-9-methyl-pyrido[1,2-a][1,3,5]triazin-4-one Formula: C17H15N3OS MolecularWeight: 309.3855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=NC2=O)SCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CN2C1=NC(=NC2=O)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C17H15N3OS/c1-13-7-5-11-20-15(13)18-16(19-17(20)21)22-12-6-10-14-8-3-2-4-9-14/h2-11H,12H2,1H3/b10-6+