N-(4-methoxy-2-nitro-phenyl)-2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C18H15N5O5S MolecularWeight: 413.4072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5S/c1-28-12-7-8-13(14(9-12)23(26)27)19-15(24)10-29-18-20-17(25)16(21-22-18)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,24)(H,20,22,25)