4-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-(1-methyltetrazol-5-yl)sulfanyl-propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[(1-methyl-5-tetrazolyl)thio]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-(1-methyltetrazol-5-yl)sulfanylpropoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[(1-methyltetrazol-5-yl)thio]propoxy]benzonitrile Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CN1C(=NN=N1)SCC(COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C12H13N5O2S/c1-17-12(14-15-16-17)20-8-10(18)7-19-11-4-2-9(6-13)3-5-11/h2-5,10,18H,7-8H2,1H3