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

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-1-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C13H13FN4O2S MolecularWeight: 308.331323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3CC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3CC3)F

InChI

InChI=1S/C13H13FN4O2S/c1-20-12-5-2-8(6-10(12)14)11(19)7-21-13-15-16-17-18(13)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3