1-(4-chlorophenyl)-2-[3-[[(4-fluorophenyl)amino]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-[3-[[(4-fluorophenyl)amino]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[3-[(4-fluoroanilino)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[3-[(4-fluoroanilino)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[3-[(4-fluoroanilino)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[3-[(4-fluoroanilino)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]ethanone Formula: C23H18ClFN4OS MolecularWeight: 452.931623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN(C2=S)CC(=O)C3=CC=C(C=C3)Cl)CNC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN(C2=S)CC(=O)C3=CC=C(C=C3)Cl)CNC4=CC=C(C=C4)F

InChI

InChI=1S/C23H18ClFN4OS/c24-17-8-6-16(7-9-17)21(30)15-28-23(31)29(20-4-2-1-3-5-20)22(27-28)14-26-19-12-10-18(25)11-13-19/h1-13,26H,14-15H2