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

Systemtic Name: (2S)-N-(2-methyl-5-nitro-phenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(2-methyl-5-nitro-phenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-(2-methyl-5-nitrophenyl)-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-(2-methyl-5-nitrophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(2-methyl-5-nitro-phenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NNC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](C)SC2=NNC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C17H16N6O3S/c1-10-5-6-13(23(25)26)8-14(10)19-16(24)11(2)27-17-20-15(21-22-17)12-4-3-7-18-9-12/h3-9,11H,1-2H3,(H,19,24)(H,20,21,22)/t11-/m0/s1