3-(4-chloranyl-1-ethyl-pyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-chloranyl-1-ethyl-pyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-chloro-1-ethyl-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-chloro-1-ethyl-3-pyrazolyl)-4-(2-oxolanylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-chloro-1-ethylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chloro-1-ethyl-pyrazol-3-yl)-4-(tetrahydrofurfuryl)-1H-1,2,4-triazole-5-thione Formula: C12H16ClN5OS MolecularWeight: 313.80634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C2=NNC(=S)N2CC3CCCO3)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C2=NNC(=S)N2CC3CCCO3)Cl

InChI

InChI=1S/C12H16ClN5OS/c1-2-17-7-9(13)10(16-17)11-14-15-12(20)18(11)6-8-4-3-5-19-8/h7-8H,2-6H2,1H3,(H,15,20)