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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C20H19FN4OS MolecularWeight: 382.454463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)F

InChI

InChI=1S/C20H19FN4OS/c1-13-7-10-15(11-17(13)21)22-18(26)12-27-20-23-19(14-8-9-14)25(24-20)16-5-3-2-4-6-16/h2-7,10-11,14H,8-9,12H2,1H3,(H,22,26)