4-[2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile CAS Name: 4-[2-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile Traditional Name: 4-[2-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetyl]benzonitrile Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C3=C(OC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C3=C(OC=C3)C

InChI

InChI=1S/C18H16N4O2S/c1-3-22-17(15-8-9-24-12(15)2)20-21-18(22)25-11-16(23)14-6-4-13(10-19)5-7-14/h4-9H,3,11H2,1-2H3