4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC=CO3

InChI

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