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

Systemtic Name: 2-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanenitrile Openeye Name: 2-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylpropanenitrile CAS Name: 2-[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]propanenitrile IUPAC Name: 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanenitrile Traditional Name: 2-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]propionitrile Formula: C12H13N5OS MolecularWeight: 275.32952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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