2-[[5-[[(4-iodophenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-[[(4-iodophenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(4-iodoanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(4-iodoanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(4-iodoanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(4-iodoanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C23H19IN4OS MolecularWeight: 526.39263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)I

InChI

InChI=1S/C23H19IN4OS/c24-18-11-13-19(14-12-18)25-15-22-26-27-23(28(22)20-9-5-2-6-10-20)30-16-21(29)17-7-3-1-4-8-17/h1-14,25H,15-16H2