4-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]amino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C19H20BrFN4O2S MolecularWeight: 467.355103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)F)OC

Isomeric SMILES

CCC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C19H20BrFN4O2S/c1-3-17-23-24-19(28)25(17)22-10-13-8-15(20)18(16(9-13)26-2)27-11-12-4-6-14(21)7-5-12/h4-9,22H,3,10-11H2,1-2H3,(H,24,28)