2-(phenylmethylsulfanyl)-5-phenylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide

Systemtic Name: 2-(phenylmethylsulfanyl)-5-phenylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-phenylsulfanyl-N-thiazol-2-yl-pyrimidine-4-carboxamide CAS Name: 2-(phenylmethylthio)-5-(phenylthio)-N-(2-thiazolyl)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-phenylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-(phenylthio)-N-thiazol-2-yl-pyrimidine-4-carboxamide Formula: C21H16N4OS3 MolecularWeight: 436.57294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NC=CS3)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NC=CS3)SC4=CC=CC=C4

InChI

InChI=1S/C21H16N4OS3/c26-19(25-20-22-11-12-27-20)18-17(29-16-9-5-2-6-10-16)13-23-21(24-18)28-14-15-7-3-1-4-8-15/h1-13H,14H2,(H,22,25,26)