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

Systemtic Name: 4-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanenitrile Openeye Name: 4-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylbutanenitrile CAS Name: 4-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]butanenitrile IUPAC Name: 4-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylbutanenitrile Traditional Name: 4-[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]butyronitrile Formula: C12H13N5OS MolecularWeight: 275.32952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=N2)SCCCC#N

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=N2)SCCCC#N

InChI

InChI=1S/C12H13N5OS/c1-18-11-7-3-2-6-10(11)17-12(14-15-16-17)19-9-5-4-8-13/h2-3,6-7H,4-5,9H2,1H3