2-[[5-[[(4-iodophenyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide

Systemtic Name: 2-[[5-[[(4-iodophenyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[4-allyl-5-[(4-iodoanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[4-allyl-5-[(4-iodoanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)acetamide Formula: C24H22IN5OS MolecularWeight: 555.43385

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)CNC4=CC=C(C=C4)I

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)CNC4=CC=C(C=C4)I

InChI

InChI=1S/C24H22IN5OS/c1-2-14-30-22(15-26-19-12-10-18(25)11-13-19)28-29-24(30)32-16-23(31)27-21-9-5-7-17-6-3-4-8-20(17)21/h2-13,26H,1,14-16H2,(H,27,31)