3-ethyl-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-ethyl-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-ethyl-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-ethyl-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-ethyl-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-ethyl-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C16H15N3OS MolecularWeight: 297.3748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCC1=NNC(=S)N1C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C16H15N3OS/c1-2-15-17-18-16(21)19(15)12-8-10-14(11-9-12)20-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,18,21)