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

Systemtic Name: N-(4-iodophenyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-iodophenyl)-2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-iodophenyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-iodophenyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-iodophenyl)-2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H19IN4OS MolecularWeight: 526.39263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C23H19IN4OS/c1-16-6-5-7-17(14-16)22-26-27-23(28(22)20-8-3-2-4-9-20)30-15-21(29)25-19-12-10-18(24)11-13-19/h2-14H,15H2,1H3,(H,25,29)