N-(3-fluorophenyl)-2-[(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[[5-(2-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-fluorophenyl)-2-[[5-(2-pyridinyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[[5-(2-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H15FN6OS MolecularWeight: 394.425403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=NC(=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C19H15FN6OS/c20-14-6-5-7-15(12-14)22-17(27)13-28-19-24-23-18(16-8-1-2-9-21-16)26(19)25-10-3-4-11-25/h1-12H,13H2,(H,22,27)