S-pyridin-4-yl 1-(phenylmethyl)pyrrole-2-carbothioate

Systemtic Name: S-pyridin-4-yl 1-(phenylmethyl)pyrrole-2-carbothioate Openeye Name: S-(4-pyridyl) 1-benzylpyrrole-2-carbothioate CAS Name: 1-(phenylmethyl)-2-pyrrolecarbothioic acid S-pyridin-4-yl ester IUPAC Name: S-pyridin-4-yl 1-benzylpyrrole-2-carbothioate Traditional Name: 1-benzylpyrrole-2-carbothioic acid S-(4-pyridyl) ester Formula: C17H14N2OS MolecularWeight: 294.37086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC=C2C(=O)SC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC=C2C(=O)SC3=CC=NC=C3

InChI

InChI=1S/C17H14N2OS/c20-17(21-15-8-10-18-11-9-15)16-7-4-12-19(16)13-14-5-2-1-3-6-14/h1-12H,13H2