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

Systemtic Name: 4-[(E)-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-3-propan-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyleneamino]-3-isopropyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-propan-2-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-propan-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-benzoxy-3-bromo-5-methoxy-benzylidene)amino]-3-isopropyl-1H-1,2,4-triazole-5-thione Formula: C20H21BrN4O2S MolecularWeight: 461.37534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=S)N1N=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)C1=NNC(=S)N1/N=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H21BrN4O2S/c1-13(2)19-23-24-20(28)25(19)22-11-15-9-16(21)18(17(10-15)26-3)27-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,24,28)/b22-11+