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

Systemtic Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)butan-1-one Formula: C15H16FN3OS MolecularWeight: 305.370443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CC1C2=NC(=NN2)SCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H16FN3OS/c16-12-7-5-10(6-8-12)13(20)2-1-9-21-15-17-14(18-19-15)11-3-4-11/h5-8,11H,1-4,9H2,(H,17,18,19)