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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(1-benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(2-benzofuranyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(1-benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H30N4O2S/c29-22(27-14-8-1-2-9-15-27)17-31-24-26-25-23(28(24)19-11-4-3-5-12-19)21-16-18-10-6-7-13-20(18)30-21/h6-7,10,13,16,19H,1-5,8-9,11-12,14-15,17H2