(3S)-3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]azepan-2-one

Systemtic Name: (3S)-3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]azepan-2-one Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SC3CCCCNC3=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)S[C@H]3CCCCNC3=O

InChI

InChI=1S/C18H23N3O2S/c1-18(2,3)13-9-7-12(8-10-13)16-20-21-17(23-16)24-14-6-4-5-11-19-15(14)22/h7-10,14H,4-6,11H2,1-3H3,(H,19,22)/t14-/m0/s1