5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-2-(pyrrolidinomethyl)-1,2,4-triazole-3-thione Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CN2C(=S)N(C(=N2)C3COC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CN2C(=S)N(C(=N2)C3COC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C21H22N4O2S/c28-21-24(15-23-12-6-7-13-23)22-20(25(21)16-8-2-1-3-9-16)19-14-26-17-10-4-5-11-18(17)27-19/h1-5,8-11,19H,6-7,12-15H2