4-prop-2-enyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-prop-2-enyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-prop-2-enyl-2-(1-pyrrolidin-1-iumylmethyl)-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-prop-2-enyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C17H20N5OS+ MolecularWeight: 342.4386

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN(C3=S)C[NH+]4CCCC4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN(C3=S)C[NH+]4CCCC4

InChI

InChI=1S/C17H19N5OS/c1-2-9-20-15(23)13-7-3-4-8-14(13)22-16(20)18-21(17(22)24)12-19-10-5-6-11-19/h2-4,7-8H,1,5-6,9-12H2/p+1