4-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]amino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C23H22BrN5O3S MolecularWeight: 528.42148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NNC(=S)N2NCC3=CC(=C(C(=C3)Br)OCC4=CN=CC=C4)OC

Isomeric SMILES

COC1=CC=CC=C1C2=NNC(=S)N2NCC3=CC(=C(C(=C3)Br)OCC4=CN=CC=C4)OC

InChI

InChI=1S/C23H22BrN5O3S/c1-30-19-8-4-3-7-17(19)22-27-28-23(33)29(22)26-13-16-10-18(24)21(20(11-16)31-2)32-14-15-6-5-9-25-12-15/h3-12,26H,13-14H2,1-2H3,(H,28,33)