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

Systemtic Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-iodanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-iodo-4-methyl-phenyl)acetamide CAS Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide IUPAC Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-2-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C19H19IN4O2S MolecularWeight: 494.34923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=CC(=C(C=C3)C)I

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=CC(=C(C=C3)C)I

InChI

InChI=1S/C19H19IN4O2S/c1-3-26-15-8-5-13(6-9-15)18-22-23-19(27)24(18)11-17(25)21-14-7-4-12(2)16(20)10-14/h4-10H,3,11H2,1-2H3,(H,21,25)(H,23,27)