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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CO4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CO4

InChI

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