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

Systemtic Name: 2-ethylsulfanyl-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)amino]-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-ethylsulfanyl-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)amino]-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-(ethylthio)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)amino]-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-ethylsulfanyl-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)amino]-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-(ethylthio)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)amino]-1H-pyrrole-3,4-dicarboxamide Formula: C16H17N7O2S MolecularWeight: 371.41688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N7O2S/c1-2-26-15-10(12(18)25)9(11(17)24)14(19-15)21-16-20-13(22-23-16)8-6-4-3-5-7-8/h3-7,19H,2H2,1H3,(H2,17,24)(H2,18,25)(H2,20,21,22,23)