N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloranyl-2-propylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloranyl-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-propylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C14H18ClN5O3S3 MolecularWeight: 435.97242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CCC

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CCC

InChI

InChI=1S/C14H18ClN5O3S3/c1-3-5-6-24-14-20-19-12(25-14)18-11(21)10-9(15)8-16-13(17-10)26(22,23)7-4-2/h8H,3-7H2,1-2H3,(H,18,19,21)