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

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzonitrile CAS Name: 4-[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]-mercaptomethyl]benzonitrile IUPAC Name: 4-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]-sulfanylmethyl]benzonitrile Traditional Name: 4-[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]-mercapto-methyl]benzonitrile Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4OS/c22-13-15-8-10-16(11-9-15)19(27)21-24-23-20(17-5-2-1-3-6-17)25(21)14-18-7-4-12-26-18/h1-12,19,27H,14H2