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

Systemtic Name: 4-[(E)-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyleneamino]-3-(1-naphthylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(1-naphthalenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-benzoxy-3-bromo-5-methoxy-benzylidene)amino]-3-(1-naphthylmethyl)-1H-1,2,4-triazole-5-thione Formula: C28H23BrN4O2S MolecularWeight: 559.47682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NN2C(=NNC2=S)CC3=CC=CC4=CC=CC=C43)Br)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/N2C(=NNC2=S)CC3=CC=CC4=CC=CC=C43)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C28H23BrN4O2S/c1-34-25-15-20(14-24(29)27(25)35-18-19-8-3-2-4-9-19)17-30-33-26(31-32-28(33)36)16-22-12-7-11-21-10-5-6-13-23(21)22/h2-15,17H,16,18H2,1H3,(H,32,36)/b30-17+