N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-(3-phenoxyphenyl)methanamine

Systemtic Name: N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-(3-phenoxyphenyl)methanamine Openeye Name: N-methyl-N-[[4-methyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-(3-phenoxyphenyl)methanamine CAS Name: N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-(3-phenoxyphenyl)methanamine IUPAC Name: N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-(3-phenoxyphenyl)methanamine Traditional Name: methyl-[[4-methyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-(3-phenoxybenzyl)amine Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=NC=C2)CN(C)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=NC=C2)CN(C)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H25N5OS/c1-28(16-20-7-6-10-22(15-20)30-21-8-4-3-5-9-21)17-23-26-27-24(29(23)2)31-18-19-11-13-25-14-12-19/h3-15H,16-18H2,1-2H3