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

Systemtic Name: 2-[(2-cyclohexylcarbonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[2-(cyclohexanecarbonyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[2-[cyclohexyl(oxo)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[[2-(cyclohexanecarbonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[2-(cyclohexanecarbonyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C23H24N6O4S MolecularWeight: 480.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NN2C(=O)C3CCCCC3)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NN2C(=O)C3CCCCC3)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O4S/c1-15-7-8-18(13-19(15)29(32)33)25-20(30)14-34-23-26-21(16-9-11-24-12-10-16)27-28(23)22(31)17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,25,30)