4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C11H12N4OS MolecularWeight: 248.30418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC#N)C2=CC=CO2

Isomeric SMILES

CN1C(=NN=C1SCCCC#N)C2=CC=CO2

InChI

InChI=1S/C11H12N4OS/c1-15-10(9-5-4-7-16-9)13-14-11(15)17-8-3-2-6-12/h4-5,7H,2-3,8H2,1H3