4-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H15BrN4OS MolecularWeight: 451.339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=C(O4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=C(O4)Br

InChI

InChI=1S/C21H15BrN4OS/c22-19-11-10-18(27-19)20-24-25-21(26(20)13-16-4-2-1-3-5-16)28-14-17-8-6-15(12-23)7-9-17/h1-11H,13-14H2