4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitro-benzonitrile CAS Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitrobenzonitrile IUPAC Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitrobenzonitrile Traditional Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitro-benzonitrile Formula: C16H12N2O3S2 MolecularWeight: 344.40808

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O3S2/c17-10-11-1-6-15(14(9-11)18(19)20)21-13-4-2-12(3-5-13)16-22-7-8-23-16/h1-6,9,16H,7-8H2