3-nitro-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-nitro-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-nitro-4,5-bis(phenylsulfanyl)phthalonitrile CAS Name: 3-nitro-4,5-bis(phenylthio)benzene-1,2-dicarbonitrile IUPAC Name: 3-nitro-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-nitro-4,5-bis(phenylthio)phthalonitrile Formula: C20H11N3O2S2 MolecularWeight: 389.45024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C(=C(C(=C2)C#N)C#N)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C(=C(C(=C2)C#N)C#N)[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C20H11N3O2S2/c21-12-14-11-18(26-15-7-3-1-4-8-15)20(19(23(24)25)17(14)13-22)27-16-9-5-2-6-10-16/h1-11H