N-methyl-N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-quinolin-6-yl-methanamine

Systemtic Name: N-methyl-N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-quinolin-6-yl-methanamine Openeye Name: N-methyl-N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-(6-quinolyl)methanamine CAS Name: N-methyl-N-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-1-(6-quinolinyl)methanamine IUPAC Name: N-methyl-N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-quinolin-6-ylmethanamine Traditional Name: methyl-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-(6-quinolylmethyl)amine Formula: C23H25N5OS MolecularWeight: 419.5425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC=C2)CN(C)CC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2)CN(C)CC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C23H25N5OS/c1-27(16-18-10-11-21-19(15-18)7-6-12-24-21)17-22-25-26-23(28(22)2)30-14-13-29-20-8-4-3-5-9-20/h3-12,15H,13-14,16-17H2,1-2H3