4-[4-[[4-ethyl-3-(furan-2-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[[4-ethyl-3-(furan-2-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[[4-ethyl-3-(2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[4-ethyl-3-(2-furanyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[[4-ethyl-3-(furan-2-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[[4-ethyl-3-(2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C19H25N7O4S2 MolecularWeight: 479.5763

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)C4=CC=CO4

InChI

InChI=1S/C19H25N7O4S2/c1-3-25-18(16-5-4-10-30-16)21-26(19(25)31)13-23-6-8-24(9-7-23)32(28,29)14-11-15(17(20)27)22(2)12-14/h4-5,10-12H,3,6-9,13H2,1-2H3,(H2,20,27)