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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5OS/c1-18-11-6-4-10(5-7-11)17-12(14-15-16-17)19-9-3-2-8-13/h4-7H,2-3,9H2,1H3