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

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-furylmethyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzonitrile CAS Name: 4-[[4-(2-furanylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]-mercaptomethyl]benzonitrile IUPAC Name: 4-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]-sulfanylmethyl]benzonitrile Traditional Name: 4-[[4-(2-furfuryl)-5-(p-tolyl)-1,2,4-triazol-3-yl]-mercapto-methyl]benzonitrile Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)C(C4=CC=C(C=C4)C#N)S

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)C(C4=CC=C(C=C4)C#N)S

InChI

InChI=1S/C22H18N4OS/c1-15-4-8-18(9-5-15)21-24-25-22(26(21)14-19-3-2-12-27-19)20(28)17-10-6-16(13-23)7-11-17/h2-12,20,28H,14H2,1H3