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

Systemtic Name: 2-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-keto-1,2,4-triazin-3-yl)thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C12H12N6O5S MolecularWeight: 352.32588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=CC(=O)N2N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=CC(=O)N2N)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O5S/c1-23-7-2-3-8(9(4-7)18(21)22)15-10(19)6-24-12-16-14-5-11(20)17(12)13/h2-5H,6,13H2,1H3,(H,15,19)