1-(azepan-1-yl)-2-[[4-(4-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[4-(4-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-(4-fluorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(4-fluorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-(4-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-(4-fluorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CN=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CN=CC=C4

InChI

InChI=1S/C21H22FN5OS/c22-17-7-9-18(10-8-17)27-20(16-6-5-11-23-14-16)24-25-21(27)29-15-19(28)26-12-3-1-2-4-13-26/h5-11,14H,1-4,12-13,15H2