3-(3-oxidanylpropyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3-oxidanylpropyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-(3-hydroxypropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-hydroxypropyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-(3-hydroxypropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-(3-hydroxypropyl)-1H-1,2,4-triazole-5-thione Formula: C12H15N3OS MolecularWeight: 249.332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NNC2=S)CCCO

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NNC2=S)CCCO

InChI

InChI=1S/C12H15N3OS/c16-8-4-7-11-13-14-12(17)15(11)9-10-5-2-1-3-6-10/h1-3,5-6,16H,4,7-9H2,(H,14,17)