4-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanenitrile Openeye Name: 4-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylbutanenitrile CAS Name: 4-[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]butanenitrile IUPAC Name: 4-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylbutanenitrile Traditional Name: 4-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]butyronitrile Formula: C13H15N5OS MolecularWeight: 289.3561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCCCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCCCC#N

InChI

InChI=1S/C13H15N5OS/c1-10-5-6-12(19-2)11(9-10)18-13(15-16-17-18)20-8-4-3-7-14/h5-6,9H,3-4,8H2,1-2H3