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

Systemtic Name: N-tert-butyl-2-[[5-[[(4-iodophenyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[(4-iodoanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[(4-iodoanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C18H24IN5OS MolecularWeight: 485.38553

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1CC=C)CNC2=CC=C(C=C2)I

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1CC=C)CNC2=CC=C(C=C2)I

InChI

InChI=1S/C18H24IN5OS/c1-5-10-24-15(11-20-14-8-6-13(19)7-9-14)22-23-17(24)26-12-16(25)21-18(2,3)4/h5-9,20H,1,10-12H2,2-4H3,(H,21,25)