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

Systemtic Name: N-(3-fluorophenyl)-2-[(5-pyridin-3-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[[5-(3-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-fluorophenyl)-2-[[5-(3-pyridinyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[(5-pyridin-3-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[[5-(3-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=CN(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)F)C4=CN=CC=C4

Isomeric SMILES

C1=CN(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)F)C4=CN=CC=C4

InChI

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