2-butan-2-yl-4-[4-[4-(6-oxidanyl-1-benzothiophen-3-yl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

Systemtic Name: 2-butan-2-yl-4-[4-[4-(6-oxidanyl-1-benzothiophen-3-yl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Openeye Name: 4-[4-[4-(6-hydroxybenzothiophen-3-yl)piperazin-1-yl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one CAS Name: 2-butan-2-yl-4-[4-[4-(6-hydroxy-1-benzothiophen-3-yl)-1-piperazinyl]phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-butan-2-yl-4-[4-[4-(6-hydroxy-1-benzothiophen-3-yl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Traditional Name: 4-[4-[4-(6-hydroxybenzothiophen-3-yl)piperazino]phenyl]-2-sec-butyl-1,2,4-triazol-3-one Formula: C24H27N5O2S MolecularWeight: 449.56848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CSC5=C4C=CC(=C5)O

Isomeric SMILES

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CSC5=C4C=CC(=C5)O

InChI

InChI=1S/C24H27N5O2S/c1-3-17(2)29-24(31)28(16-25-29)19-6-4-18(5-7-19)26-10-12-27(13-11-26)22-15-32-23-14-20(30)8-9-21(22)23/h4-9,14-17,30H,3,10-13H2,1-2H3