2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=NN3C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=NN3C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3S/c1-15-12-13-18(19(14-15)28(30)31)23-21(29)20(16-8-4-2-5-9-16)32-22-24-25-26-27(22)17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17,20H,3,6-7,10-11H2,1H3,(H,23,29)