2-[4-(2-methylbutan-2-yl)phenyl]sulfanyl-6-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(2-methylbutan-2-yl)phenyl]sulfanyl-6-nitro-benzenecarbonitrile Openeye Name: 2-[4-(1,1-dimethylpropyl)phenyl]sulfanyl-6-nitro-benzonitrile CAS Name: 2-[[4-(2-methylbutan-2-yl)phenyl]thio]-6-nitrobenzonitrile IUPAC Name: 2-[4-(2-methylbutan-2-yl)phenyl]sulfanyl-6-nitrobenzonitrile Traditional Name: 2-[(4-tert-amylphenyl)thio]-6-nitro-benzonitrile Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S/c1-4-18(2,3)13-8-10-14(11-9-13)23-17-7-5-6-16(20(21)22)15(17)12-19/h5-11H,4H2,1-3H3