3-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanenitrile Openeye Name: 3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanenitrile CAS Name: 3-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]propanenitrile IUPAC Name: 3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanenitrile Traditional Name: 3-[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]propionitrile Formula: C11H11N5OS MolecularWeight: 261.30294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)SCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)SCCC#N

InChI

InChI=1S/C11H11N5OS/c1-17-10-5-3-9(4-6-10)16-11(13-14-15-16)18-8-2-7-12/h3-6H,2,8H2,1H3