4-(2-hydroxyethyl)-5-pyrazin-2-yl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-hydroxyethyl)-5-pyrazin-2-yl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(2-hydroxyethyl)-5-pyrazin-2-yl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-hydroxyethyl)-5-(2-pyrazinyl)-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2-hydroxyethyl)-5-pyrazin-2-yl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(2-hydroxyethyl)-5-pyrazin-2-yl-2-(pyrrolidinomethyl)-1,2,4-triazole-3-thione Formula: C13H18N6OS MolecularWeight: 306.38662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CN2C(=S)N(C(=N2)C3=NC=CN=C3)CCO

Isomeric SMILES

C1CCN(C1)CN2C(=S)N(C(=N2)C3=NC=CN=C3)CCO

InChI

InChI=1S/C13H18N6OS/c20-8-7-18-12(11-9-14-3-4-15-11)16-19(13(18)21)10-17-5-1-2-6-17/h3-4,9,20H,1-2,5-8,10H2