1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine

Systemtic Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine Openeye Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-[4-methyl-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine CAS Name: 1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-4-[4-methyl-5-(2-oxolanylmethylthio)-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine Traditional Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-[4-methyl-5-(tetrahydrofurfurylthio)-1,2,4-triazol-3-yl]piperidine Formula: C30H36N4O3S MolecularWeight: 532.69684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)CN3CCC(CC3)C4=NN=C(N4C)SCC5CCCO5)OC)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)CN3CCC(CC3)C4=NN=C(N4C)SCC5CCCO5)OC)C6=CC=CC=C6

InChI

InChI=1S/C30H36N4O3S/c1-20-28(21-8-5-4-6-9-21)25-17-26(35-3)23(16-27(25)37-20)18-34-13-11-22(12-14-34)29-31-32-30(33(29)2)38-19-24-10-7-15-36-24/h4-6,8-9,16-17,22,24H,7,10-15,18-19H2,1-3H3