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

Systemtic Name: 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H14N4OS MolecularWeight: 358.41636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4OS/c21-13-15-6-4-7-16(12-15)14-26-20-23-22-19(18-10-5-11-25-18)24(20)17-8-2-1-3-9-17/h1-12H,14H2