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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O3S/c1-14-7-6-10-19(15(14)2)23-21(29)18-13-17(28(30)31)11-12-20(18)32-22-24-25-26-27(22)16-8-4-3-5-9-16/h3-5,8-9,11-15,19H,6-7,10H2,1-2H3,(H,23,29)