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

Systemtic Name: 2-ethyl-7-(naphthalen-2-ylsulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 2-ethyl-7-(2-naphthylsulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 2-ethyl-7-[(2-naphthalenylthio)methyl]-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 2-ethyl-7-(naphthalen-2-ylsulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 2-ethyl-7-[(2-naphthylthio)methyl]-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C18H16N3OS2+ MolecularWeight: 354.46914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+]2=C(S1)NC(=CC2=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC1=N[N+]2=C(S1)NC(=CC2=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C18H15N3OS2/c1-2-16-20-21-17(22)10-14(19-18(21)24-16)11-23-15-8-7-12-5-3-4-6-13(12)9-15/h3-10H,2,11H2,1H3/p+1