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

Systemtic Name: 4-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]amino]-3-methyl-1H-1,2,4-triazole-5-thione Formula: C18H18BrFN4O2S MolecularWeight: 453.328523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)F)OC

Isomeric SMILES

CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C18H18BrFN4O2S/c1-11-22-23-18(27)24(11)21-9-13-7-15(19)17(16(8-13)25-2)26-10-12-3-5-14(20)6-4-12/h3-8,21H,9-10H2,1-2H3,(H,23,27)