N-(3-iodanyl-4-methyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-iodo-4-methylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-iodo-4-methylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H15IN4OS MolecularWeight: 450.29667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)I

InChI

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