N-cyclooctyl-5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide

Systemtic Name: N-cyclooctyl-5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide Openeye Name: N-cyclooctyl-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzamide CAS Name: N-cyclooctyl-5-nitro-2-[(1-phenyl-5-tetrazolyl)thio]benzamide IUPAC Name: N-cyclooctyl-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzamide Traditional Name: N-cyclooctyl-5-nitro-2-[(1-phenyltetrazol-5-yl)thio]benzamide Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O3S/c29-21(23-16-9-5-2-1-3-6-10-16)19-15-18(28(30)31)13-14-20(19)32-22-24-25-26-27(22)17-11-7-4-8-12-17/h4,7-8,11-16H,1-3,5-6,9-10H2,(H,23,29)