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

Systemtic Name: 3-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[1-(2-furylmethyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[1-(2-furanylmethyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[1-(2-furfuryl)tetrazol-5-yl]thio]methyl]benzonitrile Formula: C14H11N5OS MolecularWeight: 297.33504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=NN2CC3=CC=CO3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=NN2CC3=CC=CO3)C#N

InChI

InChI=1S/C14H11N5OS/c15-8-11-3-1-4-12(7-11)10-21-14-16-17-18-19(14)9-13-5-2-6-20-13/h1-7H,9-10H2