2-[3-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[3-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-[2-(4-iodoanilino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-[[2-(4-iodoanilino)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-[[2-(4-iodoanilino)-2-keto-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide Formula: C16H14IN5O2S2 MolecularWeight: 499.34913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2CC(=O)N)SCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2CC(=O)N)SCC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C16H14IN5O2S2/c17-10-3-5-11(6-4-10)19-14(24)9-26-16-21-20-15(12-2-1-7-25-12)22(16)8-13(18)23/h1-7H,8-9H2,(H2,18,23)(H,19,24)