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

Systemtic Name: 4-[(E)-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-3-butyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyleneamino]-3-butyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-butyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-butyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-benzoxy-3-bromo-5-methoxy-benzylidene)amino]-3-butyl-1H-1,2,4-triazole-5-thione Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1N=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCCCC1=NNC(=S)N1/N=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H23BrN4O2S/c1-3-4-10-19-24-25-21(29)26(19)23-13-16-11-17(22)20(18(12-16)27-2)28-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,25,29)/b23-13+