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

Systemtic Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C)C3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3S/c1-4-24-18(15-8-6-5-7-9-15)22-23-20(24)29-14(3)19(26)21-17-11-10-16(25(27)28)12-13(17)2/h5-12,14H,4H2,1-3H3,(H,21,26)/t14-/m1/s1