ethanedioic acid; N-[(2-fluorophenyl)methyl]-3-phenylsulfanyl-propan-1-amine

Systemtic Name: ethanedioic acid; N-[(2-fluorophenyl)methyl]-3-phenylsulfanyl-propan-1-amine Openeye Name: N-[(2-fluorophenyl)methyl]-3-phenylsulfanyl-propan-1-amine; oxalic acid CAS Name: N-[(2-fluorophenyl)methyl]-3-(phenylthio)-1-propanamine; oxalic acid IUPAC Name: N-[(2-fluorophenyl)methyl]-3-phenylsulfanylpropan-1-amine; oxalic acid Traditional Name: (2-fluorobenzyl)-[3-(phenylthio)propyl]amine; oxalic acid Formula: C18H20FNO4S MolecularWeight: 365.419103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNCC2=CC=CC=C2F.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCNCC2=CC=CC=C2F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18FNS.C2H2O4/c17-16-10-5-4-7-14(16)13-18-11-6-12-19-15-8-2-1-3-9-15;3-1(4)2(5)6/h1-5,7-10,18H,6,11-13H2;(H,3,4)(H,5,6)