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

Systemtic Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinolin-6-yl-methanamine Openeye Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(6-quinolyl)methanamine CAS Name: N-[[5-[(2-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(6-quinolinyl)methanamine IUPAC Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinolin-6-ylmethanamine Traditional Name: [5-[(2-chlorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl-methyl-(6-quinolylmethyl)amine Formula: C22H22ClN5S MolecularWeight: 423.96158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2Cl)CN(C)CC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2Cl)CN(C)CC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C22H22ClN5S/c1-27(13-16-9-10-20-17(12-16)7-5-11-24-20)14-21-25-26-22(28(21)2)29-15-18-6-3-4-8-19(18)23/h3-12H,13-15H2,1-2H3