2-ethanimidoyl-4-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[1-(2-furylmethyl)tetrazol-5-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 4-[[1-(2-furanylmethyl)-5-tetrazolyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[1-(2-furfuryl)tetrazol-5-yl]thio]-3-keto-butyronitrile Formula: C12H12N6O2S MolecularWeight: 304.32768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=NN1CC2=CC=CO2

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=NN1CC2=CC=CO2

InChI

InChI=1S/C12H12N6O2S/c1-8(14)10(5-13)11(19)7-21-12-15-16-17-18(12)6-9-3-2-4-20-9/h2-4,10,14H,6-7H2,1H3