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

Systemtic Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloranyl-2-ethylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-2-ethylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-2-esyl-pyrimidine-4-carboxamide Formula: C13H16ClN5O3S3 MolecularWeight: 421.94584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN5O3S3/c1-3-5-6-23-13-19-18-11(24-13)17-10(20)9-8(14)7-15-12(16-9)25(21,22)4-2/h7H,3-6H2,1-2H3,(H,17,18,20)