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

Systemtic Name: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C9H8N4OS MolecularWeight: 220.25102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#N)C2=CC=CO2

Isomeric SMILES

CN1C(=NN=C1SCC#N)C2=CC=CO2

InChI

InChI=1S/C9H8N4OS/c1-13-8(7-3-2-5-14-7)11-12-9(13)15-6-4-10/h2-3,5H,6H2,1H3