2-[[5-(2-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide

Systemtic Name: 2-[[5-(2-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide Openeye Name: N-isopropyl-2-[[5-(2-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]oxazole-4-carboxamide CAS Name: 2-[[[5-(2-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-N-propan-2-yl-4-oxazolecarboxamide IUPAC Name: 2-[[5-(2-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide Traditional Name: N-isopropyl-2-[[[5-(2-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]oxazole-4-carboxamide Formula: C22H20N6O4S MolecularWeight: 464.497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=COC(=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=COC(=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O4S/c1-14(2)23-21(29)17-12-32-19(24-17)13-33-22-26-25-20(27(22)15-8-4-3-5-9-15)16-10-6-7-11-18(16)28(30)31/h3-12,14H,13H2,1-2H3,(H,23,29)