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

Systemtic Name: 4-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H17N5S MolecularWeight: 383.46888

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5S/c23-14-17-6-8-19(9-7-17)16-28-22-26-25-21(20-10-12-24-13-11-20)27(22)15-18-4-2-1-3-5-18/h1-13H,15-16H2