(2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: (2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: (2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: (2R)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: (2R)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: (2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1[C@H](C)C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O3S/c1-11-16(24(26)27)12(2)23(22-11)13(3)17(25)19-18-21-20-15(28-18)10-9-14-7-5-4-6-8-14/h4-8,13H,9-10H2,1-3H3,(H,19,21,25)/t13-/m1/s1