N-cycloheptyl-2-(4,5-dicyano-2-nitro-phenyl)sulfanyl-benzamide

Systemtic Name: N-cycloheptyl-2-(4,5-dicyano-2-nitro-phenyl)sulfanyl-benzamide Openeye Name: N-cycloheptyl-2-(4,5-dicyano-2-nitro-phenyl)sulfanyl-benzamide CAS Name: N-cycloheptyl-2-[(4,5-dicyano-2-nitrophenyl)thio]benzamide IUPAC Name: N-cycloheptyl-2-(4,5-dicyano-2-nitrophenyl)sulfanylbenzamide Traditional Name: N-cycloheptyl-2-[(4,5-dicyano-2-nitro-phenyl)thio]benzamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC=CC=C2SC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC=CC=C2SC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O3S/c23-13-15-11-19(26(28)29)21(12-16(15)14-24)30-20-10-6-5-9-18(20)22(27)25-17-7-3-1-2-4-8-17/h5-6,9-12,17H,1-4,7-8H2,(H,25,27)