N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C17H14ClFN6OS MolecularWeight: 404.849063

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=NC=CN=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=NC=CN=C3

InChI

InChI=1S/C17H14ClFN6OS/c1-2-7-25-16(14-9-20-5-6-21-14)23-24-17(25)27-10-15(26)22-11-3-4-13(19)12(18)8-11/h2-6,8-9H,1,7,10H2,(H,22,26)