3-[[5-[(2S)-butan-2-yl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[5-[(2S)-butan-2-yl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[5-[(1S)-1-methylpropyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[5-[[(2S)-butan-2-yl]thio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[5-[(2S)-butan-2-yl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-[[(1S)-1-methylpropyl]thio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C22H24N4OS2 MolecularWeight: 424.58216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1CCC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CC[C@H](C)SC1=NN=C(N1CCC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C22H24N4OS2/c1-3-16(2)28-21-24-23-20(25(21)14-13-17-9-5-4-6-10-17)15-26-18-11-7-8-12-19(18)29-22(26)27/h4-12,16H,3,13-15H2,1-2H3/t16-/m0/s1