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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(O4)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(O4)Br

InChI

InChI=1S/C21H23BrN4O2S/c22-18-11-10-17(28-18)20-23-24-21(26(20)14-16-8-4-3-5-9-16)29-15-19(27)25-12-6-1-2-7-13-25/h3-5,8-11H,1-2,6-7,12-15H2