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

Systemtic Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-isopropyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(coumaran-5-ylmethyl)piperazino]methyl]-4-isopropyl-1,2,4-triazole-3-thione Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(C)N1C=NN(C1=S)CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C19H27N5OS/c1-15(2)23-13-20-24(19(23)26)14-22-8-6-21(7-9-22)12-16-3-4-18-17(11-16)5-10-25-18/h3-4,11,13,15H,5-10,12,14H2,1-2H3