2-(4-cyano-2-nitro-phenyl)sulfanylethyl 4-methylbenzoate

Systemtic Name: 2-(4-cyano-2-nitro-phenyl)sulfanylethyl 4-methylbenzoate Openeye Name: 2-(4-cyano-2-nitro-phenyl)sulfanylethyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-[(4-cyano-2-nitrophenyl)thio]ethyl ester IUPAC Name: 2-(4-cyano-2-nitrophenyl)sulfanylethyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 2-[(4-cyano-2-nitro-phenyl)thio]ethyl ester Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCSC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4S/c1-12-2-5-14(6-3-12)17(20)23-8-9-24-16-7-4-13(11-18)10-15(16)19(21)22/h2-7,10H,8-9H2,1H3