5-chloranyl-2-ethylsulfanyl-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C16H13ClFN5OS3 MolecularWeight: 441.953723

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C16H13ClFN5OS3/c1-2-25-14-19-7-11(17)12(20-14)13(24)21-15-22-23-16(27-15)26-8-9-3-5-10(18)6-4-9/h3-7H,2,8H2,1H3,(H,21,22,24)