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

Systemtic Name: 4-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methylamino]-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methylamino]-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]amino]-3-methyl-1H-1,2,4-triazole-5-thione Formula: C17H18BrN5O2S MolecularWeight: 436.32612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN5O2S/c1-11-21-22-17(26)23(11)20-9-13-6-14(18)16(15(7-13)24-2)25-10-12-4-3-5-19-8-12/h3-8,20H,9-10H2,1-2H3,(H,22,26)