4-[[4-(4-ethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-ethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-ethoxyphenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(4-ethoxyphenyl)-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(4-ethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(2-furyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CO4

InChI

InChI=1S/C22H18N4O2S/c1-2-27-19-11-9-18(10-12-19)26-21(20-4-3-13-28-20)24-25-22(26)29-15-17-7-5-16(14-23)6-8-17/h3-13H,2,15H2,1H3