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

Systemtic Name: 4-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-amino-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C14H11N5OS MolecularWeight: 297.33504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=COC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C14H11N5OS/c15-8-10-3-5-11(6-4-10)9-21-14-18-17-13(19(14)16)12-2-1-7-20-12/h1-7H,9,16H2