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

Systemtic Name: 1-(4-fluorophenyl)-4-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[[1-(1-naphthalenyl)-5-tetrazolyl]thio]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)sulfanylbutan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[[1-(1-naphthyl)tetrazol-5-yl]thio]butan-1-one Formula: C21H17FN4OS MolecularWeight: 392.449283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN4OS/c22-17-12-10-16(11-13-17)20(27)9-4-14-28-21-23-24-25-26(21)19-8-3-6-15-5-1-2-7-18(15)19/h1-3,5-8,10-13H,4,9,14H2