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

Systemtic Name: 2-butan-2-yl-4-[4-[4-(6-methoxy-1-benzothiophen-3-yl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Openeye Name: 4-[4-[4-(6-methoxybenzothiophen-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-methoxy-1-benzothiophen-3-yl)-1-piperazinyl]phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-butan-2-yl-4-[4-[4-(6-methoxy-1-benzothiophen-3-yl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Traditional Name: 4-[4-[4-(6-methoxybenzothiophen-3-yl)piperazino]phenyl]-2-sec-butyl-1,2,4-triazol-3-one Formula: C25H29N5O2S MolecularWeight: 463.59506

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O2S/c1-4-18(2)30-25(31)29(17-26-30)20-7-5-19(6-8-20)27-11-13-28(14-12-27)23-16-33-24-15-21(32-3)9-10-22(23)24/h5-10,15-18H,4,11-14H2,1-3H3