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

Systemtic Name: 2-[4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC=CO4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC=CO4

InChI

InChI=1S/C21H16N4OS/c1-25-20(19-7-4-12-26-19)23-24-21(25)27-14-15-8-10-16(11-9-15)18-6-3-2-5-17(18)13-22/h2-12H,14H2,1H3