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

Systemtic Name: 4-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]amino]-1H-1,2,4-triazole-5-thione Formula: C16H16BrN5O2S MolecularWeight: 422.29954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Br)OCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Br)OCC3=CN=CC=C3

InChI

InChI=1S/C16H16BrN5O2S/c1-23-14-6-12(8-20-22-10-19-21-16(22)25)5-13(17)15(14)24-9-11-3-2-4-18-7-11/h2-7,10,20H,8-9H2,1H3,(H,21,25)