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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitro-phenyl)acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitrophenyl)acetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitrophenyl)acetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C23H20N6O4S MolecularWeight: 476.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N6O4S/c1-15-3-8-19(20(13-15)29(31)32)25-21(30)14-34-23-27-26-22(16-9-11-24-12-10-16)28(23)17-4-6-18(33-2)7-5-17/h3-13H,14H2,1-2H3,(H,25,30)