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

Systemtic Name: 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)butan-1-one Formula: C17H16FN3OS2 MolecularWeight: 361.456843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC(=O)C2=CC=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN=C1SCCCC(=O)C2=CC=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3OS2/c1-21-16(12-6-8-13(18)9-7-12)19-20-17(21)24-11-2-4-14(22)15-5-3-10-23-15/h3,5-10H,2,4,11H2,1H3