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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-benzyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(2-furanylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-benzyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-benzyl-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2CC3=CC=CO3)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2CC3=CC=CO3)SCC#N

InChI

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