7-ethynyl-2-(phenylmethyl)sulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 7-ethynyl-2-(phenylmethyl)sulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 2-benzylsulfonyl-7-ethynyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-ethynyl-2-(phenylmethyl)sulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 2-benzylsulfonyl-7-ethynyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 2-benzylsulfonyl-7-ethynyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C14H9N3O3S2 MolecularWeight: 331.36956

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=O)N2C(=N1)SC(=N2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C#CC1=CC(=O)N2C(=N1)SC(=N2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C14H9N3O3S2/c1-2-11-8-12(18)17-13(15-11)21-14(16-17)22(19,20)9-10-6-4-3-5-7-10/h1,3-8H,9H2