5-chloranyl-2-[(4-fluorophenyl)methylsulfonyl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-[(4-fluorophenyl)methylsulfonyl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(4-fluorobenzyl)sulfonyl-pyrimidine-4-carboxamide Formula: C17H13ClFN5O3S3 MolecularWeight: 485.963223

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H13ClFN5O3S3/c1-2-7-28-17-24-23-15(29-17)22-14(25)13-12(18)8-20-16(21-13)30(26,27)9-10-3-5-11(19)6-4-10/h2-6,8H,1,7,9H2,(H,22,23,25)