1-(azepan-1-yl)-2-[[5-[(E)-2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[[5-[(E)-2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[[5-[(E)-2-(4-fluorophenyl)vinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[[5-[(E)-2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-[(E)-2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[[5-[(E)-2-(4-fluorophenyl)vinyl]-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C19H23FN4OS MolecularWeight: 374.475523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NNC(=N2)C=CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NNC(=N2)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C19H23FN4OS/c1-14(18(25)24-12-4-2-3-5-13-24)26-19-21-17(22-23-19)11-8-15-6-9-16(20)10-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,21,22,23)/b11-8+