2-[2-(4-bromophenyl)-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]sulfanyl-1-piperidin-1-yl-propan-1-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]sulfanyl-1-piperidin-1-yl-propan-1-one Openeye Name: 2-[2-(4-bromophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]sulfanyl-1-(1-piperidyl)propan-1-one CAS Name: 2-[[2-(4-bromophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: 2-[2-(4-bromophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]sulfanyl-1-piperidin-1-ylpropan-1-one Traditional Name: 2-[[2-(4-bromophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]thio]-1-piperidino-propan-1-one Formula: C19H25BrN4O2S MolecularWeight: 453.3964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)SCC(CN2C=NC=N2)(C3=CC=C(C=C3)Br)O

Isomeric SMILES

CC(C(=O)N1CCCCC1)SCC(CN2C=NC=N2)(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C19H25BrN4O2S/c1-15(18(25)23-9-3-2-4-10-23)27-12-19(26,11-24-14-21-13-22-24)16-5-7-17(20)8-6-16/h5-8,13-15,26H,2-4,9-12H2,1H3