2-(4-aminophenyl)sulfanyl-6-nitro-benzenecarbonitrile

Systemtic Name: 2-(4-aminophenyl)sulfanyl-6-nitro-benzenecarbonitrile Openeye Name: 2-(4-aminophenyl)sulfanyl-6-nitro-benzonitrile CAS Name: 2-[(4-aminophenyl)thio]-6-nitrobenzonitrile IUPAC Name: 2-(4-aminophenyl)sulfanyl-6-nitrobenzonitrile Traditional Name: 2-[(4-aminophenyl)thio]-6-nitro-benzonitrile Formula: C13H9N3O2S MolecularWeight: 271.29446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O2S/c14-8-11-12(16(17)18)2-1-3-13(11)19-10-6-4-9(15)5-7-10/h1-7H,15H2