2-[4-(1,3-dithiolan-2-yl)phenoxy]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-5-nitro-benzonitrile CAS Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-5-nitrobenzonitrile IUPAC Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-5-nitrobenzonitrile Traditional Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-5-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)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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