N-(2,3-dimethyl-6-nitro-phenyl)-2-(1H-perimidin-2-ylsulfanyl)ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(1H-perimidin-2-ylsulfanyl)acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(1H-perimidin-2-ylthio)acetamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2)C

InChI

InChI=1S/C21H18N4O3S/c1-12-9-10-17(25(27)28)20(13(12)2)24-18(26)11-29-21-22-15-7-3-5-14-6-4-8-16(23-21)19(14)15/h3-10H,11H2,1-2H3,(H,22,23)(H,24,26)