1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C20H23N5O2S/c1-14-12-17(15(2)21-14)18(26)13-28-20-23-22-19(24-8-10-27-11-9-24)25(20)16-6-4-3-5-7-16/h3-7,12,21H,8-11,13H2,1-2H3