2-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)thio]-N-(4-iodo-2-methylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[(4-amino-5-keto-1,2,4-triazin-3-yl)thio]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C12H12IN5O2S MolecularWeight: 417.22545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=CC(=O)N2N

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=CC(=O)N2N

InChI

InChI=1S/C12H12IN5O2S/c1-7-4-8(13)2-3-9(7)16-10(19)6-21-12-17-15-5-11(20)18(12)14/h2-5H,6,14H2,1H3,(H,16,19)