1-[4-methoxy-3-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[1-(1-naphthyl)tetrazol-5-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[1-(1-naphthalenyl)-5-tetrazolyl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(1-naphthalen-1-yltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[[1-(1-naphthyl)tetrazol-5-yl]thio]methyl]phenyl]ethanone Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H18N4O2S/c1-14(26)16-10-11-20(27-2)17(12-16)13-28-21-22-23-24-25(21)19-9-5-7-15-6-3-4-8-18(15)19/h3-12H,13H2,1-2H3