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

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C18H22FN5OS MolecularWeight: 375.463583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN5OS/c1-12-4-7-15(14(19)10-12)20-16(25)11-26-18-22-21-17(23-8-2-3-9-23)24(18)13-5-6-13/h4,7,10,13H,2-3,5-6,8-9,11H2,1H3,(H,20,25)