2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(4-ethoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O4S/c1-2-34-19-13-14-20(21(15-19)30(32)33)26-22(31)16-35-25-27-23(17-9-5-3-6-10-17)24(28-29-25)18-11-7-4-8-12-18/h3-15H,2,16H2,1H3,(H,26,31)