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

Systemtic Name: 4-[(E)-(4-bromophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-bromophenyl)methyleneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-bromophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-bromophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-bromobenzylidene)amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Formula: C16H13BrN4OS MolecularWeight: 389.26962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NNC(=S)N2/N=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrN4OS/c17-13-8-6-12(7-9-13)10-18-21-15(19-20-16(21)23)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H,20,23)/b18-10+