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

Systemtic Name: 3-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 3-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[(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(=C3)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC(=C3)C#N

InChI

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