(2R)-2-[1-(3-chlorophenyl)-1,2,3-triazol-4-yl]-N-methyl-pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-2-[1-(3-chlorophenyl)-1,2,3-triazol-4-yl]-N-methyl-pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-[1-(3-chlorophenyl)triazol-4-yl]-N-methyl-pyrrolidine-1-carbothioamide CAS Name: (2R)-2-[1-(3-chlorophenyl)-4-triazolyl]-N-methyl-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-[1-(3-chlorophenyl)triazol-4-yl]-N-methylpyrrolidine-1-carbothioamide Traditional Name: (2R)-2-[1-(3-chlorophenyl)triazol-4-yl]-N-methyl-pyrrolidine-1-carbothioamide Formula: C14H16ClN5S MolecularWeight: 321.82834

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCC1C2=CN(N=N2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CNC(=S)N1CCC[C@@H]1C2=CN(N=N2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H16ClN5S/c1-16-14(21)19-7-3-6-13(19)12-9-20(18-17-12)11-5-2-4-10(15)8-11/h2,4-5,8-9,13H,3,6-7H2,1H3,(H,16,21)/t13-/m1/s1