N-(2-methoxy-4-nitro-phenyl)-2-(1H-perimidin-2-ylsulfanyl)ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-(1H-perimidin-2-ylsulfanyl)acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-(1H-perimidin-2-ylthio)acetamide Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C20H16N4O4S/c1-28-17-10-13(24(26)27)8-9-14(17)21-18(25)11-29-20-22-15-6-2-4-12-5-3-7-16(23-20)19(12)15/h2-10H,11H2,1H3,(H,21,25)(H,22,23)