(2S)-N-(2-methoxy-4-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(2-methoxy-4-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(2-methoxy-4-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(2-methoxy-4-nitrophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-methoxy-4-nitrophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCN1C=NN=C1S[C@@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H23N5O4S/c1-4-5-6-9-21-11-18-20-17(21)27-12(2)16(23)19-14-8-7-13(22(24)25)10-15(14)26-3/h7-8,10-12H,4-6,9H2,1-3H3,(H,19,23)/t12-/m0/s1