4-(4-ethylphenyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-ethylphenyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-ethylphenyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-ethylphenyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-ethylphenyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-ethylphenyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Formula: C17H17N3OS MolecularWeight: 311.40138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c1-2-13-8-10-14(11-9-13)20-16(18-19-17(20)22)12-21-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,19,22)