1-(4-fluorophenyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfinyl]butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfinyl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfinyl-butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[(1-phenyl-5-tetrazolyl)sulfinyl]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfinylbutan-1-one Traditional Name: 1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfinyl-butan-1-one Formula: C17H15FN4O2S MolecularWeight: 358.390003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)S(=O)CCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)S(=O)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN4O2S/c18-14-10-8-13(9-11-14)16(23)7-4-12-25(24)17-19-20-21-22(17)15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12H2