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

Systemtic Name: (2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: (2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: (2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3CC3

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3CC3

InChI

InChI=1S/C17H21N5O4S/c1-4-21-15(11-5-6-11)19-20-17(21)27-10(2)16(23)18-13-9-12(22(24)25)7-8-14(13)26-3/h7-11H,4-6H2,1-3H3,(H,18,23)/t10-/m1/s1