N-(3-iodanyl-4-methyl-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-iodo-4-methylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-iodo-4-methylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H19IN4O2S MolecularWeight: 494.34923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)I

InChI

InChI=1S/C19H19IN4O2S/c1-13-7-8-15(11-16(13)20)21-17(25)12-27-19-23-22-18(26)24(19)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,25)(H,22,26)