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

Systemtic Name: 5-chloranyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-propylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C17H16ClN5O3S3 MolecularWeight: 469.98864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5O3S3/c1-2-8-29(25,26)16-19-9-12(18)13(20-16)14(24)21-15-22-23-17(28-15)27-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,21,22,24)