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

Systemtic Name: 4-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]amino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C18H20BrN5O2S MolecularWeight: 450.3527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN5O2S/c1-3-16-22-23-18(27)24(16)21-10-13-7-14(19)17(15(8-13)25-2)26-11-12-5-4-6-20-9-12/h4-9,21H,3,10-11H2,1-2H3,(H,23,27)