N-(3-fluorophenyl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide

Systemtic Name: N-(3-fluorophenyl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide Openeye Name: 4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)-N-(3-fluorophenyl)benzamide CAS Name: N-(3-fluorophenyl)-4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide IUPAC Name: 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)-N-(3-fluorophenyl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(3-fluorophenyl)benzamide Formula: C22H16FN3OS3 MolecularWeight: 453.575343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C22H16FN3OS3/c23-17-7-4-8-18(13-17)24-20(27)16-9-11-19(12-10-16)26-22(28)30-21(25-26)29-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,24,27)