N-(4-ethoxy-2-nitro-phenyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethoxy-2-nitro-phenyl)-2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-ethoxy-2-nitro-phenyl)-2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H26N6O4S MolecularWeight: 518.58744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N6O4S/c1-4-36-19-11-12-21(23(14-19)32(34)35)28-24(33)16-37-26-30-29-25(18-8-7-13-27-15-18)31(26)22-10-6-5-9-20(22)17(2)3/h5-15,17H,4,16H2,1-3H3,(H,28,33)