N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorobenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-(4-nitrophenyl)acrylamide Formula: C32H24Cl2FN5O3S MolecularWeight: 648.534063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)SCC4=CC=C(C=C4)F)NC(=O)C=CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)SCC4=CC=C(C=C4)F)NC(=O)C=CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H24Cl2FN5O3S/c33-24-11-16-29(27(34)19-24)39-31(37-38-32(39)44-20-23-6-12-25(35)13-7-23)28(18-22-4-2-1-3-5-22)36-30(41)17-10-21-8-14-26(15-9-21)40(42)43/h1-17,19,28H,18,20H2,(H,36,41)