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

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

C1=CC=C(C=C1)CN2C(=NN=C2SCCC#N)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCC#N)C3=CC=CO3

InChI

InChI=1S/C16H14N4OS/c17-9-5-11-22-16-19-18-15(14-8-4-10-21-14)20(16)12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,11-12H2