3-(4-fluorophenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-1-yl)prop-2-en-1-one

Systemtic Name: 3-(4-fluorophenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-1-yl)prop-2-en-1-one Openeye Name: 3-(4-fluorophenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-1-yl)prop-2-en-1-one CAS Name: 3-(4-fluorophenyl)-1-[3-(phenacylthio)-1,2,4-triazol-1-yl]-2-propen-1-one IUPAC Name: 3-(4-fluorophenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-1-yl)prop-2-en-1-one Traditional Name: 3-(4-fluorophenyl)-1-[3-(phenacylthio)-1,2,4-triazol-1-yl]prop-2-en-1-one Formula: C19H14FN3O2S MolecularWeight: 367.396763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN(C=N2)C(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN(C=N2)C(=O)C=CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H14FN3O2S/c20-16-9-6-14(7-10-16)8-11-18(25)23-13-21-19(22-23)26-12-17(24)15-4-2-1-3-5-15/h1-11,13H,12H2