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

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-pyridin-2-yl-butan-1-one Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanyl-1-(2-pyridyl)butan-1-one CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-1-(2-pyridinyl)-1-butanone IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanyl-1-pyridin-2-ylbutan-1-one Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-1-(2-pyridyl)butan-1-one Formula: C11H13N5OS MolecularWeight: 263.31882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)C2=CC=CC=N2

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)C2=CC=CC=N2

InChI

InChI=1S/C11H13N5OS/c1-16-11(13-14-15-16)18-8-4-6-10(17)9-5-2-3-7-12-9/h2-3,5,7H,4,6,8H2,1H3