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

Systemtic Name: (2S)-N-(2-methoxy-4-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(2-methoxy-4-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(2-methoxy-4-nitrophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-methoxy-4-nitrophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(2-methoxy-4-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)SC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)SC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C19H19N5O4S/c1-12(18(25)20-15-10-9-14(24(26)27)11-16(15)28-3)29-19-22-21-17(23(19)2)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,25)/t12-/m0/s1