2-(naphthalen-2-ylmethyl)-2-[4-(phenylsulfonyl)phenyl]-3-(1H-1,2,4-triazol-1-ium-1-yl)propanenitrile nitrate

Systemtic Name: 2-(naphthalen-2-ylmethyl)-2-[4-(phenylsulfonyl)phenyl]-3-(1H-1,2,4-triazol-1-ium-1-yl)propanenitrile nitrate Openeye Name: 2-[4-(benzenesulfonyl)phenyl]-2-(2-naphthylmethyl)-3-(1H-1,2,4-triazol-1-ium-1-yl)propanenitrile nitrate CAS Name: 2-[4-(benzenesulfonyl)phenyl]-2-(2-naphthalenylmethyl)-3-(1H-1,2,4-triazol-1-ium-1-yl)propanenitrile nitrate IUPAC Name: 2-[4-(benzenesulfonyl)phenyl]-2-(naphthalen-2-ylmethyl)-3-(1H-1,2,4-triazol-1-ium-1-yl)propanenitrile nitrate Traditional Name: 2-(4-besylphenyl)-2-(2-naphthylmethyl)-3-(1H-1,2,4-triazol-1-ium-1-yl)propionitrile nitrate Formula: C28H23N5O5S MolecularWeight: 541.57772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(CC3=CC4=CC=CC=C4C=C3)(C[NH+]5C=NC=N5)C#N.[N+](=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(CC3=CC4=CC=CC=C4C=C3)(C[NH+]5C=NC=N5)C#N.[N+](=O)([O-])[O-]

InChI

InChI=1S/C28H22N4O2S.NO3/c29-18-28(19-32-21-30-20-31-32,17-22-10-11-23-6-4-5-7-24(23)16-22)25-12-14-27(15-13-25)35(33,34)26-8-2-1-3-9-26;2-1(3)4/h1-16,20-21H,17,19H2;/q;-1/p+1