3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: 3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: 3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: 3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-2-propenamide IUPAC Name: 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: 3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]acrylamide Formula: C28H20FN5O2S2 MolecularWeight: 541.619103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)C=CC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)C=CC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C28H20FN5O2S2/c29-22-14-11-20(12-15-22)26-21(17-34(33-26)23-9-5-2-6-10-23)13-16-25(36)30-27-31-32-28(38-27)37-18-24(35)19-7-3-1-4-8-19/h1-17H,18H2,(H,30,31,36)