5-chloranyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfonyl-5-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfonyl-5-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-benzylsulfonyl-5-chloro-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C15H12ClN5O3S3 MolecularWeight: 441.93548

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

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