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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCCCC(=O)C4=CC=C(C=C4)F

InChI

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