5-cyclopropyl-2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(coumaran-5-ylmethyl)piperazino]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione Formula: C20H27N5OS MolecularWeight: 385.52628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4)C5CC5

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4)C5CC5

InChI

InChI=1S/C20H27N5OS/c1-22-19(16-3-4-16)21-25(20(22)27)14-24-9-7-23(8-10-24)13-15-2-5-18-17(12-15)6-11-26-18/h2,5,12,16H,3-4,6-11,13-14H2,1H3