2,4-bis(oxidanylidene)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrimidine-5-sulfonamide

Systemtic Name: 2,4-bis(oxidanylidene)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrimidine-5-sulfonamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide CAS Name: 2,4-dioxo-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-1H-pyrimidine-5-sulfonamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2,4-diketo-1H-pyrimidine-5-sulfonamide Formula: C13H11N5O4S3 MolecularWeight: 397.45254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NS(=O)(=O)C3=CNC(=O)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NS(=O)(=O)C3=CNC(=O)NC3=O

InChI

InChI=1S/C13H11N5O4S3/c19-10-9(6-14-11(20)15-10)25(21,22)18-12-16-17-13(24-12)23-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,18)(H2,14,15,19,20)