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

Systemtic Name: 2-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 2-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]methyl]benzonitrile Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C16H13N5OS/c1-22-15-8-6-14(7-9-15)21-16(18-19-20-21)23-11-13-5-3-2-4-12(13)10-17/h2-9H,11H2,1H3