2-[(4-nitrophenyl)sulfanylmethyl]pent-4-enenitrile

Systemtic Name: 2-[(4-nitrophenyl)sulfanylmethyl]pent-4-enenitrile Openeye Name: 2-[(4-nitrophenyl)sulfanylmethyl]pent-4-enenitrile CAS Name: 2-[[(4-nitrophenyl)thio]methyl]-4-pentenenitrile IUPAC Name: 2-[(4-nitrophenyl)sulfanylmethyl]pent-4-enenitrile Traditional Name: 2-[[(4-nitrophenyl)thio]methyl]pent-4-enenitrile Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CSC1=CC=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

C=CCC(CSC1=CC=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H12N2O2S/c1-2-3-10(8-13)9-17-12-6-4-11(5-7-12)14(15)16/h2,4-7,10H,1,3,9H2