2-(4-tert-butylphenyl)sulfanyl-6-nitro-benzenecarbonitrile

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-6-nitro-benzenecarbonitrile Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-6-nitro-benzonitrile CAS Name: 2-[(4-tert-butylphenyl)thio]-6-nitrobenzonitrile IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-6-nitrobenzonitrile Traditional Name: 2-[(4-tert-butylphenyl)thio]-6-nitro-benzonitrile Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC(=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC(=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O2S/c1-17(2,3)12-7-9-13(10-8-12)22-16-6-4-5-15(19(20)21)14(16)11-18/h4-10H,1-3H3