3-(2-azanylcyclohexa-1,5-dien-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 3-(2-azanylcyclohexa-1,5-dien-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 3-(2-aminocyclohexa-1,5-dien-1-yl)sulfonylbenzonitrile CAS Name: 3-[(2-amino-1-cyclohexa-1,5-dienyl)sulfonyl]benzonitrile IUPAC Name: 3-(2-aminocyclohexa-1,5-dien-1-yl)sulfonylbenzonitrile Traditional Name: 3-(2-aminocyclohexa-1,5-dien-1-yl)sulfonylbenzonitrile Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)C#N)N

Isomeric SMILES

C1CC(=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)C#N)N

InChI

InChI=1S/C13H12N2O2S/c14-9-10-4-3-5-11(8-10)18(16,17)13-7-2-1-6-12(13)15/h2-5,7-8H,1,6,15H2