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

Systemtic Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C19H25N5O3S/c1-12-11-15(24(26)27)8-9-16(12)20-18(25)13(2)28-19-21-17(22-23-19)10-7-14-5-3-4-6-14/h8-9,11,13-14H,3-7,10H2,1-2H3,(H,20,25)(H,21,22,23)