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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(5-pyridin-4-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[[5-(4-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[5-pyridin-4-yl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[(5-pyridin-4-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[5-(4-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H14ClFN6OS MolecularWeight: 428.870463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClFN6OS/c20-15-11-14(3-4-16(15)21)23-17(28)12-29-19-25-24-18(13-5-7-22-8-6-13)27(19)26-9-1-2-10-26/h1-11H,12H2,(H,23,28)