7-methyl-2-(4-propan-2-ylphenyl)sulfanyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-methyl-2-(4-propan-2-ylphenyl)sulfanyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 2-(4-isopropylphenyl)sulfanyl-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-methyl-2-[(4-propan-2-ylphenyl)thio]-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-methyl-2-(4-propan-2-ylphenyl)sulfanyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-methyl-2-(p-cumenylthio)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C15H16N3OS2+ MolecularWeight: 318.43704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C(N1)SC(=N2)SC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC(=O)[N+]2=C(N1)SC(=N2)SC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C15H15N3OS2/c1-9(2)11-4-6-12(7-5-11)20-15-17-18-13(19)8-10(3)16-14(18)21-15/h4-9H,1-3H3/p+1