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

Systemtic Name: 4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C15H11N5S MolecularWeight: 293.34634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NNC(=N2)C3=CC=NC=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NNC(=N2)C3=CC=NC=C3)C#N

InChI

InChI=1S/C15H11N5S/c16-9-11-1-3-12(4-2-11)10-21-15-18-14(19-20-15)13-5-7-17-8-6-13/h1-8H,10H2,(H,18,19,20)