ethanedioic acid; 3-methylsulfanyl-N-[(3-phenoxyphenyl)methyl]aniline

Systemtic Name: ethanedioic acid; 3-methylsulfanyl-N-[(3-phenoxyphenyl)methyl]aniline Openeye Name: 3-methylsulfanyl-N-[(3-phenoxyphenyl)methyl]aniline; oxalic acid CAS Name: 3-(methylthio)-N-[(3-phenoxyphenyl)methyl]aniline; oxalic acid IUPAC Name: 3-methylsulfanyl-N-[(3-phenoxyphenyl)methyl]aniline; oxalic acid Traditional Name: [3-(methylthio)phenyl]-(3-phenoxybenzyl)amine; oxalic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NCC2=CC(=CC=C2)OC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NCC2=CC(=CC=C2)OC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H19NOS.C2H2O4/c1-23-20-12-6-8-17(14-20)21-15-16-7-5-11-19(13-16)22-18-9-3-2-4-10-18;3-1(4)2(5)6/h2-14,21H,15H2,1H3;(H,3,4)(H,5,6)