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

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)thio]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)thio]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=NN3C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=NN3C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3S/c1-13-10-11-15(16(12-13)26(28)29)21-18(27)17(14-8-6-5-7-9-14)30-19-22-23-24-25(19)20(2,3)4/h5-12,17H,1-4H3,(H,21,27)