N-methyl-N-[[5-methylsulfanyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-1-quinolin-4-yl-methanamine

Systemtic Name: N-methyl-N-[[5-methylsulfanyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-1-quinolin-4-yl-methanamine Openeye Name: N-methyl-N-[[5-methylsulfanyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(4-quinolyl)methanamine CAS Name: N-methyl-N-[[5-(methylthio)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(4-quinolinyl)methanamine IUPAC Name: N-methyl-N-[[5-methylsulfanyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-1-quinolin-4-ylmethanamine Traditional Name: methyl-[[5-(methylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]methyl]-(4-quinolylmethyl)amine Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NC2=CC=CC=C12)CC3=NN=C(N3CC4CCCO4)SC

Isomeric SMILES

CN(CC1=CC=NC2=CC=CC=C12)CC3=NN=C(N3CC4CCCO4)SC

InChI

InChI=1S/C20H25N5OS/c1-24(12-15-9-10-21-18-8-4-3-7-17(15)18)14-19-22-23-20(27-2)25(19)13-16-6-5-11-26-16/h3-4,7-10,16H,5-6,11-14H2,1-2H3