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

Systemtic Name: 1-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-phenyl-tetrazole-5-thione CAS Name: 1-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methyl]-4-phenyl-5-tetrazolethione IUPAC Name: 1-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-phenyltetrazole-5-thione Traditional Name: 1-[[4-(coumaran-5-ylmethyl)piperazino]methyl]-4-phenyl-tetrazole-5-thione Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CN4C(=S)N(N=N4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CN4C(=S)N(N=N4)C5=CC=CC=C5

InChI

InChI=1S/C21H24N6OS/c29-21-26(22-23-27(21)19-4-2-1-3-5-19)16-25-11-9-24(10-12-25)15-17-6-7-20-18(14-17)8-13-28-20/h1-7,14H,8-13,15-16H2