(E)-4-(3-fluorophenyl)-1-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)but-3-en-2-one

Systemtic Name: (E)-4-(3-fluorophenyl)-1-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)but-3-en-2-one Openeye Name: (E)-1-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-fluorophenyl)but-3-en-2-one CAS Name: (E)-4-(3-fluorophenyl)-1-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-3-buten-2-one IUPAC Name: (E)-4-(3-fluorophenyl)-1-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)but-3-en-2-one Traditional Name: (E)-1-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-4-(3-fluorophenyl)but-3-en-2-one Formula: C15H13FN2OS2 MolecularWeight: 320.404923

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)CC(=O)C=CC2=CC(=CC=C2)F

Isomeric SMILES

C=CCSC1=NN=C(S1)CC(=O)/C=C/C2=CC(=CC=C2)F

InChI

InChI=1S/C15H13FN2OS2/c1-2-8-20-15-18-17-14(21-15)10-13(19)7-6-11-4-3-5-12(16)9-11/h2-7,9H,1,8,10H2/b7-6+