6-cyano-N-(3-ethanoylphenyl)-2-methyl-5-phenylsulfanyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxamide

Systemtic Name: 6-cyano-N-(3-ethanoylphenyl)-2-methyl-5-phenylsulfanyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxamide Openeye Name: N-(3-acetylphenyl)-6-cyano-2-methyl-5-phenylsulfanyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxamide CAS Name: N-(3-acetylphenyl)-6-cyano-2-methyl-5-(phenylthio)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxamide IUPAC Name: N-(3-acetylphenyl)-6-cyano-2-methyl-5-phenylsulfanyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxamide Traditional Name: N-(3-acetylphenyl)-6-cyano-2-methyl-5-(phenylthio)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxamide Formula: C22H17N5O2S MolecularWeight: 415.46768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(N2N1)SC3=CC=CC=C3)C#N)C(=O)NC4=CC=CC(=C4)C(=O)C

Isomeric SMILES

CC1=NC2=C(C(=C(N2N1)SC3=CC=CC=C3)C#N)C(=O)NC4=CC=CC(=C4)C(=O)C

InChI

InChI=1S/C22H17N5O2S/c1-13(28)15-7-6-8-16(11-15)25-21(29)19-18(12-23)22(27-20(19)24-14(2)26-27)30-17-9-4-3-5-10-17/h3-11H,1-2H3,(H,24,26)(H,25,29)