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

Systemtic Name: 2-ethyl-7-(quinazolin-4-ylsulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 2-ethyl-7-(quinazolin-4-ylsulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 2-ethyl-7-[(4-quinazolinylthio)methyl]-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 2-ethyl-7-(quinazolin-4-ylsulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 2-ethyl-7-[(quinazolin-4-ylthio)methyl]-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C16H14N5OS2+ MolecularWeight: 356.44526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+]2=C(S1)NC(=CC2=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CCC1=N[N+]2=C(S1)NC(=CC2=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C16H13N5OS2/c1-2-13-20-21-14(22)7-10(19-16(21)24-13)8-23-15-11-5-3-4-6-12(11)17-9-18-15/h3-7,9H,2,8H2,1H3/p+1