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

Systemtic Name: 4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C20H20N5OS+ MolecularWeight: 378.4707

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)N3C4=CC=CC=C4C(=O)N(C3=N2)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)N3C4=CC=CC=C4C(=O)N(C3=N2)C5=CC=CC=C5

InChI

InChI=1S/C20H19N5OS/c26-18-16-10-4-5-11-17(16)25-19(24(18)15-8-2-1-3-9-15)21-23(20(25)27)14-22-12-6-7-13-22/h1-5,8-11H,6-7,12-14H2/p+1