2-(4-ethylphenyl)sulfanyl-4-nitro-benzenecarbonitrile

Systemtic Name: 2-(4-ethylphenyl)sulfanyl-4-nitro-benzenecarbonitrile Openeye Name: 2-(4-ethylphenyl)sulfanyl-4-nitro-benzonitrile CAS Name: 2-[(4-ethylphenyl)thio]-4-nitrobenzonitrile IUPAC Name: 2-(4-ethylphenyl)sulfanyl-4-nitrobenzonitrile Traditional Name: 2-[(4-ethylphenyl)thio]-4-nitro-benzonitrile Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=C(C=CC(=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=C(C=CC(=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H12N2O2S/c1-2-11-3-7-14(8-4-11)20-15-9-13(17(18)19)6-5-12(15)10-16/h3-9H,2H2,1H3