2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-iodanyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-iodanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-iodo-4-methyl-phenyl)acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-iodo-4-methyl-phenyl)acetamide Formula: C17H14ClIN4OS MolecularWeight: 484.74173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl)I

InChI

InChI=1S/C17H14ClIN4OS/c1-10-2-7-13(8-14(10)19)20-15(24)9-23-16(21-22-17(23)25)11-3-5-12(18)6-4-11/h2-8H,9H2,1H3,(H,20,24)(H,22,25)