N-(4-iodanyl-2,6-dimethyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-iodanyl-2,6-dimethyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-iodo-2,6-dimethyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-iodo-2,6-dimethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-iodo-2,6-dimethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-iodo-2,6-dimethyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H17IN4OS MolecularWeight: 464.32325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3)C)I

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3)C)I

InChI

InChI=1S/C18H17IN4OS/c1-11-8-14(19)9-12(2)16(11)20-15(24)10-25-18-21-17(22-23-18)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22,23)