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

Systemtic Name: 2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

CC(C#N)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C16H14N4OS/c1-12(10-17)22-16-19-18-15(14-8-5-9-21-14)20(16)11-13-6-3-2-4-7-13/h2-9,12H,11H2,1H3