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

Systemtic Name: 2-[4-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile Formula: C28H21N5S MolecularWeight: 459.56484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=CN=CC=C5

InChI

InChI=1S/C28H21N5S/c29-17-24-9-4-5-11-26(24)23-14-12-22(13-15-23)20-34-28-32-31-27(25-10-6-16-30-18-25)33(28)19-21-7-2-1-3-8-21/h1-16,18H,19-20H2