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

Systemtic Name: 3-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C15H13N5OS MolecularWeight: 311.36162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SCCC#N

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SCCC#N

InChI

InChI=1S/C15H13N5OS/c16-6-3-9-22-15-19-18-14(12-4-1-7-17-10-12)20(15)11-13-5-2-8-21-13/h1-2,4-5,7-8,10H,3,9,11H2