7-bromanyl-4-[[5-[(2-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[5-[(2-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C18H11BrFN3O2S2 MolecularWeight: 464.331243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br)F

InChI

InChI=1S/C18H11BrFN3O2S2/c19-11-5-6-12-10(7-16(24)25-15(12)8-11)9-26-18-23-22-17(27-18)21-14-4-2-1-3-13(14)20/h1-8H,9H2,(H,21,22)