2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[4-(2-furylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[4-(2-furanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[4-(2-furfuryl)-5-isopropyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2=CC=CO2)SC(C)C#N

Isomeric SMILES

CC(C)C1=NN=C(N1CC2=CC=CO2)SC(C)C#N

InChI

InChI=1S/C13H16N4OS/c1-9(2)12-15-16-13(19-10(3)7-14)17(12)8-11-5-4-6-18-11/h4-6,9-10H,8H2,1-3H3