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

Systemtic Name: 1-(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)-N-methyl-N-[[5-methylsulfanyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]methanamine Openeye Name: 1-(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)-N-methyl-N-[[5-methylsulfanyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]methanamine CAS Name: 1-(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)-N-methyl-N-[[5-(methylthio)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]methyl]methanamine IUPAC Name: 1-(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)-N-methyl-N-[[5-methylsulfanyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]methanamine Traditional Name: (5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl-methyl-[[5-(methylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]methyl]amine Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)CN(C)CC3=NN=C(N3CC4CCCO4)SC)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)CN(C)CC3=NN=C(N3CC4CCCO4)SC)OC)C5=CC=CC=C5

InChI

InChI=1S/C27H32N4O3S/c1-18-26(19-9-6-5-7-10-19)22-14-23(32-3)20(13-24(22)34-18)15-30(2)17-25-28-29-27(35-4)31(25)16-21-11-8-12-33-21/h5-7,9-10,13-14,21H,8,11-12,15-17H2,1-4H3