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

Systemtic Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[[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=C(C(=C1)CSC2=NNC(=N2)C3=CC=NC=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NNC(=N2)C3=CC=NC=C3)C#N

InChI

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