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

Systemtic Name: 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C22H21N7O2S MolecularWeight: 447.51284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=C(N1)NC2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N)C(=O)N

Isomeric SMILES

CCSC1=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/C22H21N7O2S/c1-2-32-21-16(18(24)31)15(17(23)30)19(25-21)26-22-27-20(13-9-5-3-6-10-13)29(28-22)14-11-7-4-8-12-14/h3-12,25H,2H2,1H3,(H2,23,30)(H2,24,31)(H,26,28)