N-(4-ethoxy-2-nitro-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C18H18N5O4S+ MolecularWeight: 400.43162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4S/c1-2-27-14-8-9-15(16(10-14)23(25)26)21-17(24)11-28-18-19-12-20-22(18)13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,21,24)/p+1