2,6-bis[(4-nitrophenyl)sulfanyl]benzenecarbonitrile

Systemtic Name: 2,6-bis[(4-nitrophenyl)sulfanyl]benzenecarbonitrile Openeye Name: 2,6-bis[(4-nitrophenyl)sulfanyl]benzonitrile CAS Name: 2,6-bis[(4-nitrophenyl)thio]benzonitrile IUPAC Name: 2,6-bis[(4-nitrophenyl)sulfanyl]benzonitrile Traditional Name: 2,6-bis[(4-nitrophenyl)thio]benzonitrile Formula: C19H11N3O4S2 MolecularWeight: 409.43834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H11N3O4S2/c20-12-17-18(27-15-8-4-13(5-9-15)21(23)24)2-1-3-19(17)28-16-10-6-14(7-11-16)22(25)26/h1-11H