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

Systemtic Name: (2R)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: (2R)-2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: (2R)-2-[[4-ethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: (2R)-2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)propionamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O3S/c1-3-23-16(13-5-4-10-19-11-13)21-22-18(23)28-12(2)17(25)20-14-6-8-15(9-7-14)24(26)27/h4-12H,3H2,1-2H3,(H,20,25)/t12-/m1/s1