4-(furan-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(furan-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-furylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-furanylmethyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(furan-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-furfuryl)-3-(4-pyrrolidinosulfonylphenyl)-1H-1,2,4-triazole-5-thione Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)N3CC4=CC=CO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)N3CC4=CC=CO4

InChI

InChI=1S/C17H18N4O3S2/c22-26(23,20-9-1-2-10-20)15-7-5-13(6-8-15)16-18-19-17(25)21(16)12-14-4-3-11-24-14/h3-8,11H,1-2,9-10,12H2,(H,19,25)