5-chloranyl-2-methylsulfonyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfonyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-methylsulfonyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-2-mesyl-pyrimidine-4-carboxamide Formula: C15H12ClN5O3S3 MolecularWeight: 441.93548

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)Cl

InChI

InChI=1S/C15H12ClN5O3S3/c1-27(23,24)14-17-7-10(16)11(18-14)12(22)19-13-20-21-15(26-13)25-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,19,20,22)