4-[(E)-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-benzoxy-3-bromo-5-methoxy-benzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NN2C=NNC2=S)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/N2C=NNC2=S)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C17H15BrN4O2S/c1-23-15-8-13(9-20-22-11-19-21-17(22)25)7-14(18)16(15)24-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,21,25)/b20-9+