4-[bis(fluoranyl)methylsulfonyl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfonyl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide CAS Name: 4-(difluoromethylsulfonyl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-(difluoromethylsulfonyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-4-(difluoromethylsulfonyl)benzamide Formula: C13H11F2N3O3S3 MolecularWeight: 391.436546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F2N3O3S3/c1-2-7-22-13-18-17-12(23-13)16-10(19)8-3-5-9(6-4-8)24(20,21)11(14)15/h2-6,11H,1,7H2,(H,16,17,19)