2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)C3CCCCC3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)C3CCCCC3

InChI

InChI=1S/C20H27N5O3S/c1-4-24-18(15-8-6-5-7-9-15)22-23-20(24)29-14(3)19(26)21-17-12-16(25(27)28)11-10-13(17)2/h10-12,14-15H,4-9H2,1-3H3,(H,21,26)