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

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-3-ethoxy-6-nitro-benzenecarbonitrile Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-3-ethoxy-6-nitro-benzonitrile CAS Name: 2-[(4-tert-butylphenyl)thio]-3-ethoxy-6-nitrobenzonitrile IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-3-ethoxy-6-nitrobenzonitrile Traditional Name: 2-[(4-tert-butylphenyl)thio]-3-ethoxy-6-nitro-benzonitrile Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)[N+](=O)[O-])C#N)SC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC1=C(C(=C(C=C1)[N+](=O)[O-])C#N)SC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C19H20N2O3S/c1-5-24-17-11-10-16(21(22)23)15(12-20)18(17)25-14-8-6-13(7-9-14)19(2,3)4/h6-11H,5H2,1-4H3