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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C20H18ClFN4O2S MolecularWeight: 432.898923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H18ClFN4O2S/c1-3-9-26-19(13-5-4-6-15(10-13)28-2)24-25-20(26)29-12-18(27)23-14-7-8-17(22)16(21)11-14/h3-8,10-11H,1,9,12H2,2H3,(H,23,27)