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

Systemtic Name: 1-(3-methoxyphenyl)-N-methyl-N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]methanamine Openeye Name: 1-(3-methoxyphenyl)-N-methyl-N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]methanamine CAS Name: 1-(3-methoxyphenyl)-N-methyl-N-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]methanamine IUPAC Name: 1-(3-methoxyphenyl)-N-methyl-N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]methanamine Traditional Name: m-anisyl-methyl-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]amine Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC=C2)CN(C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2)CN(C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H26N4O2S/c1-24(15-17-8-7-11-19(14-17)26-3)16-20-22-23-21(25(20)2)28-13-12-27-18-9-5-4-6-10-18/h4-11,14H,12-13,15-16H2,1-3H3