2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 2-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[(1-p-cumenyltetrazol-5-yl)thio]methyl]benzonitrile Formula: C18H17N5S MolecularWeight: 335.42608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H17N5S/c1-13(2)14-7-9-17(10-8-14)23-18(20-21-22-23)24-12-16-6-4-3-5-15(16)11-19/h3-10,13H,12H2,1-2H3