2-(4-tert-butylphenyl)sulfanyl-3-(2-methylpropoxy)-6-nitro-benzenecarbonitrile

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-3-(2-methylpropoxy)-6-nitro-benzenecarbonitrile Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-3-isobutoxy-6-nitro-benzonitrile CAS Name: 2-[(4-tert-butylphenyl)thio]-3-(2-methylpropoxy)-6-nitrobenzonitrile IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-3-(2-methylpropoxy)-6-nitrobenzonitrile Traditional Name: 2-[(4-tert-butylphenyl)thio]-3-isobutoxy-6-nitro-benzonitrile Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C(=C(C=C1)[N+](=O)[O-])C#N)SC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)COC1=C(C(=C(C=C1)[N+](=O)[O-])C#N)SC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H24N2O3S/c1-14(2)13-26-19-11-10-18(23(24)25)17(12-22)20(19)27-16-8-6-15(7-9-16)21(3,4)5/h6-11,14H,13H2,1-5H3