2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-isopropylphenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-p-cumenyl-acetamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O3S/c1-17(2)18-11-13-20(14-12-18)26-23(31)16-34-25-28-27-24(29(25)21-8-4-3-5-9-21)19-7-6-10-22(15-19)30(32)33/h6-7,10-15,17,21H,3-5,8-9,16H2,1-2H3,(H,26,31)