2-[[cyclopropyl(pyridin-3-ylmethyl)amino]methyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[cyclopropyl(pyridin-3-ylmethyl)amino]methyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[cyclopropyl(3-pyridylmethyl)amino]methyl]-4-phenyl-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[[cyclopropyl(3-pyridinylmethyl)amino]methyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[cyclopropyl(pyridin-3-ylmethyl)amino]methyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[cyclopropyl(3-pyridylmethyl)amino]methyl]-4-phenyl-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C22H21N5S2 MolecularWeight: 419.56564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CN=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CC1N(CC2=CN=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5S2/c28-22-26(16-25(18-10-11-18)15-17-6-4-12-23-14-17)24-21(20-9-5-13-29-20)27(22)19-7-2-1-3-8-19/h1-9,12-14,18H,10-11,15-16H2