4-prop-2-enyl-1-sulfanylidene-2,3-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-4-ium-5-one

Systemtic Name: 4-prop-2-enyl-1-sulfanylidene-2,3-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-4-ium-5-one Openeye Name: 4-allyl-1-thioxo-2,3-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-4-ium-5-one CAS Name: 4-prop-2-enyl-1-sulfanylidene-2,3-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-4-ium-5-one IUPAC Name: 4-prop-2-enyl-1-sulfanylidene-2,3-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-4-ium-5-one Traditional Name: 4-allyl-1-thioxo-2,3-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-4-ium-5-one Formula: C12H11N4OS+ MolecularWeight: 259.30694

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C2NNC(=S)N2C3=CC=CC=C3C1=O

Isomeric SMILES

C=CC[N+]1=C2NNC(=S)N2C3=CC=CC=C3C1=O

InChI

InChI=1S/C12H10N4OS/c1-2-7-15-10(17)8-5-3-4-6-9(8)16-11(15)13-14-12(16)18/h2-6H,1,7H2,(H,14,18)/p+1