N-(4-iodophenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-iodophenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-iodophenyl)-2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-iodophenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-iodophenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-iodophenyl)-2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H15IN4OS MolecularWeight: 450.29667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C17H15IN4OS/c1-11-3-2-4-12(9-11)16-20-17(22-21-16)24-10-15(23)19-14-7-5-13(18)6-8-14/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)