2-(2-nitro-5-phenylsulfanyl-phenyl)-2-oxidanyl-butanedinitrile

Systemtic Name: 2-(2-nitro-5-phenylsulfanyl-phenyl)-2-oxidanyl-butanedinitrile Openeye Name: 2-hydroxy-2-(2-nitro-5-phenylsulfanyl-phenyl)butanedinitrile CAS Name: 2-hydroxy-2-[2-nitro-5-(phenylthio)phenyl]butanedinitrile IUPAC Name: 2-hydroxy-2-(2-nitro-5-phenylsulfanylphenyl)butanedinitrile Traditional Name: 2-hydroxy-2-[2-nitro-5-(phenylthio)phenyl]succinonitrile Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O3S/c17-9-8-16(20,11-18)14-10-13(6-7-15(14)19(21)22)23-12-4-2-1-3-5-12/h1-7,10,20H,8H2