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

Systemtic Name: 4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-phenyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H15N5S MolecularWeight: 369.4423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CC=N4

InChI

InChI=1S/C21H15N5S/c22-14-16-9-11-17(12-10-16)15-27-21-25-24-20(19-8-4-5-13-23-19)26(21)18-6-2-1-3-7-18/h1-13H,15H2