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

Systemtic Name: 4-cyclopropyl-2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methyl]-5-isopropyl-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methyl]-5-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(coumaran-5-ylmethyl)piperazino]methyl]-4-cyclopropyl-5-isopropyl-1,2,4-triazole-3-thione Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=S)N1C2CC2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC(C)C1=NN(C(=S)N1C2CC2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C22H31N5OS/c1-16(2)21-23-26(22(29)27(21)19-4-5-19)15-25-10-8-24(9-11-25)14-17-3-6-20-18(13-17)7-12-28-20/h3,6,13,16,19H,4-5,7-12,14-15H2,1-2H3