2-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide

Systemtic Name: 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C21H19N7O2S MolecularWeight: 433.48626

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(N1)NC2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N)C(=O)N

Isomeric SMILES

CSC1=C(C(=C(N1)NC2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N)C(=O)N

InChI

InChI=1S/C21H19N7O2S/c1-31-20-15(17(23)30)14(16(22)29)18(24-20)25-21-26-19(12-8-4-2-5-9-12)28(27-21)13-10-6-3-7-11-13/h2-11,24H,1H3,(H2,22,29)(H2,23,30)(H,25,27)