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

Systemtic Name: 3-(2-bromophenyl)-4-[(E)-(4-ethoxy-3-methoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(2-bromophenyl)-4-[(E)-(4-ethoxy-3-methoxy-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-bromophenyl)-4-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-bromophenyl)-4-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-bromophenyl)-4-[(E)-(4-ethoxy-3-methoxy-benzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3Br)OC

InChI

InChI=1S/C18H17BrN4O2S/c1-3-25-15-9-8-12(10-16(15)24-2)11-20-23-17(21-22-18(23)26)13-6-4-5-7-14(13)19/h4-11H,3H2,1-2H3,(H,22,26)/b20-11+