2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C24H27N5O4S/c1-16-7-6-8-17(13-16)23-26-27-24(28(23)18-9-4-3-5-10-18)34-15-22(30)25-20-14-19(29(31)32)11-12-21(20)33-2/h6-8,11-14,18H,3-5,9-10,15H2,1-2H3,(H,25,30)