4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C21H20FN3OS MolecularWeight: 381.466403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

C1CC1N2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3OS/c22-18-10-5-4-9-17(18)20-23-24-21(25(20)16-12-13-16)27-14-6-11-19(26)15-7-2-1-3-8-15/h1-5,7-10,16H,6,11-14H2