2-[2-(4-methoxyphenyl)-5-oxidanylidene-3H-[1,2,4]triazolo[1,5-c]quinazolin-6-ium-6-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[2-(4-methoxyphenyl)-5-oxidanylidene-3H-[1,2,4]triazolo[1,5-c]quinazolin-6-ium-6-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[2-(4-methoxyphenyl)-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazolin-6-ium-6-yl]acetamide CAS Name: 2-[2-(4-methoxyphenyl)-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazolin-6-ium-6-yl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[2-(4-methoxyphenyl)-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazolin-6-ium-6-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[5-keto-2-(4-methoxyphenyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-6-ium-6-yl]acetamide Formula: C27H24N5O3S+ MolecularWeight: 498.57616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C4C=CC=CC4=[N+](C(=O)N3N2)CC(=O)NC5=CC=CC=C5SCC=C

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C4C=CC=CC4=[N+](C(=O)N3N2)CC(=O)NC5=CC=CC=C5SCC=C

InChI

InChI=1S/C27H23N5O3S/c1-3-16-36-23-11-7-5-9-21(23)28-24(33)17-31-22-10-6-4-8-20(22)26-29-25(30-32(26)27(31)34)18-12-14-19(35-2)15-13-18/h3-15H,1,16-17H2,2H3,(H,28,33)/p+1