2-[4-(1-cyanoethyl)phenyl]sulfanyl-2-(3-nitrophenyl)ethanoic acid

Systemtic Name: 2-[4-(1-cyanoethyl)phenyl]sulfanyl-2-(3-nitrophenyl)ethanoic acid Openeye Name: 2-[4-(1-cyanoethyl)phenyl]sulfanyl-2-(3-nitrophenyl)acetic acid CAS Name: 2-[[4-(1-cyanoethyl)phenyl]thio]-2-(3-nitrophenyl)acetic acid IUPAC Name: 2-[4-(1-cyanoethyl)phenyl]sulfanyl-2-(3-nitrophenyl)acetic acid Traditional Name: 2-[[4-(1-cyanoethyl)phenyl]thio]-2-(3-nitrophenyl)acetic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4S/c1-11(10-18)12-5-7-15(8-6-12)24-16(17(20)21)13-3-2-4-14(9-13)19(22)23/h2-9,11,16H,1H3,(H,20,21)