1-(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)-N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]methanamine

Systemtic Name: 1-(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)-N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]methanamine Openeye Name: 1-(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)-N-methyl-N-[[4-methyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]methanamine CAS Name: 1-(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)-N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]methanamine IUPAC Name: 1-(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)-N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]methanamine Traditional Name: (5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl-methyl-[[4-methyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]amine Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)CN(C)CC3=NN=C(N3C)SCC4=CC=NC=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)CN(C)CC3=NN=C(N3C)SCC4=CC=NC=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2S/c1-19-27(21-8-6-5-7-9-21)23-15-24(34-4)22(14-25(23)35-19)16-32(2)17-26-30-31-28(33(26)3)36-18-20-10-12-29-13-11-20/h5-15H,16-18H2,1-4H3