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

Systemtic Name: 3-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 3-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[(1-o-phenetyltetrazol-5-yl)thio]methyl]benzonitrile Formula: C17H15N5OS MolecularWeight: 337.3989

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H15N5OS/c1-2-23-16-9-4-3-8-15(16)22-17(19-20-21-22)24-12-14-7-5-6-13(10-14)11-18/h3-10H,2,12H2,1H3