N-[(4-methylsulfanylphenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-5-(pyrrolidin-1-ylmethyl)isoxazole-3-carboxamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-5-(1-pyrrolidinylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[4-(methylthio)benzyl]-5-(pyrrolidinomethyl)isoxazole-3-carboxamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)CN3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)CN3CCCC3

InChI

InChI=1S/C17H21N3O2S/c1-23-15-6-4-13(5-7-15)11-18-17(21)16-10-14(22-19-16)12-20-8-2-3-9-20/h4-7,10H,2-3,8-9,11-12H2,1H3,(H,18,21)