3-phenethyl-5-(pyridin-3-ylmethyl)-1,3,5-thiadiazinane-2-thione

Systemtic Name: 3-phenethyl-5-(pyridin-3-ylmethyl)-1,3,5-thiadiazinane-2-thione Openeye Name: 3-phenethyl-5-(3-pyridylmethyl)-1,3,5-thiadiazinane-2-thione CAS Name: 3-phenethyl-5-(3-pyridinylmethyl)-1,3,5-thiadiazinane-2-thione IUPAC Name: 3-phenethyl-5-(pyridin-3-ylmethyl)-1,3,5-thiadiazinane-2-thione Traditional Name: 3-phenethyl-5-(3-pyridylmethyl)-1,3,5-thiadiazinane-2-thione Formula: C17H19N3S2 MolecularWeight: 329.48286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1CCC2=CC=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

C1N(CSC(=S)N1CCC2=CC=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C17H19N3S2/c21-17-20(10-8-15-5-2-1-3-6-15)13-19(14-22-17)12-16-7-4-9-18-11-16/h1-7,9,11H,8,10,12-14H2