N-(4-iodophenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-(4-iodophenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(4-iodophenyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(4-iodophenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-(4-iodophenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(4-iodophenyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C14H11IN4OS2 MolecularWeight: 442.29781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11IN4OS2/c15-9-3-5-10(6-4-9)16-12(20)8-19-13(17-18-14(19)21)11-2-1-7-22-11/h1-7H,8H2,(H,16,20)(H,18,21)