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

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-naphthalen-2-yl-butan-1-one Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanyl-1-(2-naphthyl)butan-1-one CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-1-(2-naphthalenyl)-1-butanone IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanyl-1-naphthalen-2-ylbutan-1-one Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-1-(2-naphthyl)butan-1-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H16N4OS/c1-20-16(17-18-19-20)22-10-4-7-15(21)14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11H,4,7,10H2,1H3