S-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl] benzenecarbothioate

Systemtic Name: S-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl] benzenecarbothioate Openeye Name: S-[1-(2-pyridylmethyl)pyrrolidin-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-(2-pyridinylmethyl)-3-pyrrolidinyl] ester IUPAC Name: S-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-(2-pyridylmethyl)pyrrolidin-3-yl] ester Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SC(=O)C2=CC=CC=C2)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CC1SC(=O)C2=CC=CC=C2)CC3=CC=CC=N3

InChI

InChI=1S/C17H18N2OS/c20-17(14-6-2-1-3-7-14)21-16-9-11-19(13-16)12-15-8-4-5-10-18-15/h1-8,10,16H,9,11-13H2