2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-fluoranyl-2-methoxy-phenyl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-fluoranyl-2-methoxy-phenyl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-fluoro-2-methoxy-phenyl)ethanone CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(5-fluoro-2-methoxyphenyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-fluoro-2-methoxyphenyl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(5-fluoro-2-methoxy-phenyl)ethanone Formula: C18H16FN3O2S2 MolecularWeight: 389.466943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C18H16FN3O2S2/c1-24-15-7-4-11(19)9-13(15)14(23)10-26-18-21-20-17(16-3-2-8-25-16)22(18)12-5-6-12/h2-4,7-9,12H,5-6,10H2,1H3