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

Systemtic Name: 5-chloranyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-propylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C13H14ClN5O3S3 MolecularWeight: 419.92996

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC=C)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC=C)Cl

InChI

InChI=1S/C13H14ClN5O3S3/c1-3-5-23-13-19-18-11(24-13)17-10(20)9-8(14)7-15-12(16-9)25(21,22)6-4-2/h3,7H,1,4-6H2,2H3,(H,17,18,20)