2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-keto-6-methyl-1,2,4-triazin-3-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C12H12N6O4S MolecularWeight: 336.32648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O4S/c1-7-11(20)17(13)12(16-15-7)23-6-10(19)14-8-2-4-9(5-3-8)18(21)22/h2-5H,6,13H2,1H3,(H,14,19)