2-[(2-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: 2-[(2-fluorophenyl)methylthio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(2-fluorobenzyl)thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(phenylthio)pyrimidine-4-carboxamide Formula: C21H16FN5OS3 MolecularWeight: 469.578043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4F

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4F

InChI

InChI=1S/C21H16FN5OS3/c1-13-26-27-21(30-13)25-19(28)18-17(31-15-8-3-2-4-9-15)11-23-20(24-18)29-12-14-7-5-6-10-16(14)22/h2-11H,12H2,1H3,(H,25,27,28)