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

Systemtic Name: N-[2-[4-(3,4-dimethylphenyl)-5-[2-(4-iodophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(3,4-dimethylphenyl)-5-[2-(4-iodophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[4-(3,4-dimethylphenyl)-5-[[2-(4-iodophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[4-(3,4-dimethylphenyl)-5-[2-(4-iodophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[4-(3,4-dimethylphenyl)-5-[[2-(4-iodophenyl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C22H23IN4O2S MolecularWeight: 534.41309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)I)CCNC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)I)CCNC(=O)C)C

InChI

InChI=1S/C22H23IN4O2S/c1-14-4-9-19(12-15(14)2)27-21(10-11-24-16(3)28)25-26-22(27)30-13-20(29)17-5-7-18(23)8-6-17/h4-9,12H,10-11,13H2,1-3H3,(H,24,28)