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

Systemtic Name: 4-[(E)-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyleneamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-benzoxy-3-bromo-5-methoxy-benzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCC1=NNC(=S)N1/N=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C19H19BrN4O2S/c1-3-17-22-23-19(27)24(17)21-11-14-9-15(20)18(16(10-14)25-2)26-12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H,23,27)/b21-11+