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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5CC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O3S/c1-14-7-12-18(19(13-14)28(30)31)24-22(29)20(15-5-3-2-4-6-15)32-23-26-25-21(16-8-9-16)27(23)17-10-11-17/h2-7,12-13,16-17,20H,8-11H2,1H3,(H,24,29)