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

Systemtic Name: N-[4-(4-nitrophenyl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(4-nitrophenyl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-[4-(4-nitrophenyl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-[4-(4-nitrophenyl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(4-nitrophenyl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C22H18N5O3S+ MolecularWeight: 432.47502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=CC=C(C=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=CC=C(C=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O3S/c28-21(14-31-22-23-15-24-26(22)19-4-2-1-3-5-19)25-18-10-6-16(7-11-18)17-8-12-20(13-9-17)27(29)30/h1-13,15H,14H2,(H,25,28)/p+1