N-[[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine

Systemtic Name: N-[[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[[5-(3-chloro-4-fluoro-phenyl)-2-furyl]methyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[[5-(3-chloro-4-fluorophenyl)-2-furanyl]methyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: [5-(3-chloro-4-fluoro-phenyl)-2-furyl]methyl-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]amine Formula: C20H17ClFN5OS MolecularWeight: 429.898283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCNCC3=CC=C(O3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCNCC3=CC=C(O3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H17ClFN5OS/c21-17-12-14(6-8-18(17)22)19-9-7-16(28-19)13-23-10-11-29-20-24-25-26-27(20)15-4-2-1-3-5-15/h1-9,12,23H,10-11,13H2