2-ethyl-7-(quinolin-2-ylsulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 2-ethyl-7-(quinolin-2-ylsulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 2-ethyl-7-(2-quinolylsulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 2-ethyl-7-[(2-quinolinylthio)methyl]-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 2-ethyl-7-(quinolin-2-ylsulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 2-ethyl-7-[(2-quinolylthio)methyl]-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C17H15N4OS2+ MolecularWeight: 355.4572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+]2=C(S1)NC(=CC2=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC1=N[N+]2=C(S1)NC(=CC2=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C17H14N4OS2/c1-2-14-20-21-16(22)9-12(18-17(21)24-14)10-23-15-8-7-11-5-3-4-6-13(11)19-15/h3-9H,2,10H2,1H3/p+1