2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(3-fluoro-4-methoxy-benzyl)-N-methyl-acetamide Formula: C20H26FN5O2S MolecularWeight: 419.516143

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)C(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)C(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C20H26FN5O2S/c1-24(12-14-5-8-17(28-2)16(21)11-14)18(27)13-29-20-23-22-19(25-9-3-4-10-25)26(20)15-6-7-15/h5,8,11,15H,3-4,6-7,9-10,12-13H2,1-2H3