N-(4-iodanyl-2-propan-2-yl-phenyl)-2-[(1-phenyl-2H-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-iodanyl-2-propan-2-yl-phenyl)-2-[(1-phenyl-2H-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]ethanamide Openeye Name: N-(4-iodo-2-isopropyl-phenyl)-2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanyl]acetamide CAS Name: N-(4-iodo-2-propan-2-ylphenyl)-2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]acetamide IUPAC Name: N-(4-iodo-2-propan-2-ylphenyl)-2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanyl]acetamide Traditional Name: N-(4-iodo-2-isopropyl-phenyl)-2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]acetamide Formula: C18H19IN5OS+ MolecularWeight: 480.34583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)I)NC(=O)CSC2=[N+](NN=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)I)NC(=O)CSC2=[N+](NN=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H18IN5OS/c1-12(2)15-10-13(19)8-9-16(15)20-17(25)11-26-18-21-22-23-24(18)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,20,25)/p+1