(2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C19H25N5O3S/c1-3-23-17(14-7-5-4-6-8-14)21-22-19(23)28-13(2)18(25)20-15-9-11-16(12-10-15)24(26)27/h9-14H,3-8H2,1-2H3,(H,20,25)/t13-/m1/s1