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

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C15H12N4OS MolecularWeight: 296.34698

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C=NN=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=COC(=C1)CN2C=NN=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C15H12N4OS/c16-8-12-3-5-13(6-4-12)10-21-15-18-17-11-19(15)9-14-2-1-7-20-14/h1-7,11H,9-10H2