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

Systemtic Name: 4-cyclopropyl-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[cyclopropyl-(4-fluorobenzyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C21H22FN5S MolecularWeight: 395.496283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)CN(CC3=CC=C(C=C3)F)C4CC4)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)CN(CC3=CC=C(C=C3)F)C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C21H22FN5S/c22-17-5-3-15(4-6-17)13-25(18-7-8-18)14-26-21(28)27(19-9-10-19)20(24-26)16-2-1-11-23-12-16/h1-6,11-12,18-19H,7-10,13-14H2