2-[(E)-3-chloranylprop-2-enyl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[(E)-3-chloranylprop-2-enyl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[(E)-3-chloroallyl]sulfanyl-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[[(E)-3-chloroprop-2-enyl]thio]-3-(5-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[(E)-3-chloroprop-2-enyl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[(E)-3-chloroallyl]thio]-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C17H15ClN3OS+ MolecularWeight: 344.8385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC=CCl

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SC/C=C/Cl

InChI

InChI=1S/C17H14ClN3OS/c1-12-7-8-15(19-11-12)21-16(22)13-5-2-3-6-14(13)20-17(21)23-10-4-9-18/h2-9,11H,10H2,1H3/p+1/b9-4+