1-methyl-4-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C20H23N7O4S2 MolecularWeight: 489.57112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C20H23N7O4S2/c1-25-11-16(10-17(25)18(21)28)33(30,31)27-8-6-26(7-9-27)19(29)15-4-2-14(3-5-15)12-32-20-22-13-23-24-20/h2-5,10-11,13H,6-9,12H2,1H3,(H2,21,28)(H,22,23,24)