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

Systemtic Name: 4-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-benzyl]amino]-3-propyl-1H-1,2,4-triazole-5-thione Formula: C20H22BrClN4O2S MolecularWeight: 497.83628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

CCCC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C20H22BrClN4O2S/c1-3-4-18-24-25-20(29)26(18)23-11-14-9-16(21)19(17(10-14)27-2)28-12-13-5-7-15(22)8-6-13/h5-10,23H,3-4,11-12H2,1-2H3,(H,25,29)