2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C18H21FN6O3S MolecularWeight: 420.461143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C18H21FN6O3S/c1-11(16(26)20-12-4-7-14(19)15(10-12)25(27)28)29-18-22-21-17(23-8-2-3-9-23)24(18)13-5-6-13/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3,(H,20,26)