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2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
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Descriptors Computed from Structure
Canonical SMILES:
CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4
Isomeric SMILES
CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4
InChI
InChI=1S/C21H22N4O2S/c1-12-18(14(3)26)13(2)22-19(12)17(27)11-28-21-24-23-20(15-9-10-15)25(21)16-7-5-4-6-8-16/h4-8,15,22H,9-11H2,1-3H3
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