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

Systemtic Name: 2-[[5-[[(4-iodophenyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-[(4-iodoanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-[(4-iodoanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C20H19IN4OS MolecularWeight: 490.36053

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC3=CC=C(C=C3)I

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC3=CC=C(C=C3)I

InChI

InChI=1S/C20H19IN4OS/c1-2-12-25-19(13-22-17-10-8-16(21)9-11-17)23-24-20(25)27-14-18(26)15-6-4-3-5-7-15/h2-11,22H,1,12-14H2