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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(2-furylmethyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(2-furanylmethyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(2-furfuryl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC3=CC=CO3)SCC#N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC3=CC=CO3)SCC#N

InChI

InChI=1S/C16H14N4O2S/c1-21-14-7-3-2-6-13(14)15-18-19-16(23-10-8-17)20(15)11-12-5-4-9-22-12/h2-7,9H,10-11H2,1H3