2-[2-(3-bromophenyl)sulfanyl-5-nitro-phenyl]ethanenitrile

Systemtic Name: 2-[2-(3-bromophenyl)sulfanyl-5-nitro-phenyl]ethanenitrile Openeye Name: 2-[2-(3-bromophenyl)sulfanyl-5-nitro-phenyl]acetonitrile CAS Name: 2-[2-[(3-bromophenyl)thio]-5-nitrophenyl]acetonitrile IUPAC Name: 2-[2-(3-bromophenyl)sulfanyl-5-nitrophenyl]acetonitrile Traditional Name: 2-[2-[(3-bromophenyl)thio]-5-nitro-phenyl]acetonitrile Formula: C14H9BrN2O2S MolecularWeight: 349.20246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrN2O2S/c15-11-2-1-3-13(9-11)20-14-5-4-12(17(18)19)8-10(14)6-7-16/h1-5,8-9H,6H2