(3S)-3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: (3S)-3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C22H23BrN4OS MolecularWeight: 471.41322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN4OS/c23-18-11-9-17(10-12-18)20-25-26-22(29-19-8-4-5-14-24-21(19)28)27(20)15-13-16-6-2-1-3-7-16/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,24,28)/t19-/m0/s1