ethanedioic acid; 3-imidazol-1-yl-N-[(3-methylsulfanylphenyl)methyl]propan-1-amine

Systemtic Name: ethanedioic acid; 3-imidazol-1-yl-N-[(3-methylsulfanylphenyl)methyl]propan-1-amine Openeye Name: 3-imidazol-1-yl-N-[(3-methylsulfanylphenyl)methyl]propan-1-amine; oxalic acid CAS Name: 3-(1-imidazolyl)-N-[[3-(methylthio)phenyl]methyl]-1-propanamine; oxalic acid IUPAC Name: 3-imidazol-1-yl-N-[(3-methylsulfanylphenyl)methyl]propan-1-amine; oxalic acid Traditional Name: 3-imidazol-1-ylpropyl-[3-(methylthio)benzyl]amine; oxalic acid Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNCCCN2C=CN=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=CC(=C1)CNCCCN2C=CN=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3S.C2H2O4/c1-18-14-5-2-4-13(10-14)11-15-6-3-8-17-9-7-16-12-17;3-1(4)2(5)6/h2,4-5,7,9-10,12,15H,3,6,8,11H2,1H3;(H,3,4)(H,5,6)