5-(furan-2-yl)-4-(phenylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(furan-2-yl)-4-(phenylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(2-furyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-4-(phenylmethyl)-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-(furan-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(2-furyl)-2-(pyrrolidinomethyl)-1,2,4-triazole-3-thione Formula: C18H20N4OS MolecularWeight: 340.4426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CN2C(=S)N(C(=N2)C3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CN2C(=S)N(C(=N2)C3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C18H20N4OS/c24-18-21(13-15-7-2-1-3-8-15)17(16-9-6-12-23-16)19-22(18)14-20-10-4-5-11-20/h1-3,6-9,12H,4-5,10-11,13-14H2