(2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-N-methyl-pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-N-methyl-pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-[5-(3-cyanophenyl)isoxazol-3-yl]-N-methyl-pyrrolidine-1-carbothioamide CAS Name: (2R)-2-[5-(3-cyanophenyl)-3-isoxazolyl]-N-methyl-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-N-methylpyrrolidine-1-carbothioamide Traditional Name: (2R)-2-[5-(3-cyanophenyl)isoxazol-3-yl]-N-methyl-pyrrolidine-1-carbothioamide Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCC1C2=NOC(=C2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CNC(=S)N1CCC[C@@H]1C2=NOC(=C2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H16N4OS/c1-18-16(22)20-7-3-6-14(20)13-9-15(21-19-13)12-5-2-4-11(8-12)10-17/h2,4-5,8-9,14H,3,6-7H2,1H3,(H,18,22)/t14-/m1/s1